data_2lxw_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 2lxw _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 ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 CA--C 1.543 0.677 0 CA-C-O 121.216 0.531 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -126.65 143.76 51.13 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.515 1.526 . . . . 0.0 109.786 173.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -124.65 155.13 39.69 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.725 1.61 . . . . 0.0 111.817 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -113.74 117.19 30.81 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.99 1.316 . . . . 0.0 110.273 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -60.77 -14.27 20.34 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.48 1.512 . . . . 0.0 114.439 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -115.26 -2.13 12.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.128 1.371 . . . . 0.0 114.043 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.9 m -128.13 -27.45 2.73 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.66 -3.41 34.55 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.308 1.432 . . . . 0.0 116.554 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -77.38 156.24 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.526 1.531 . . . . 0.0 111.683 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.48 130.67 53.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.508 1.523 . . . . 0.0 110.691 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.07 150.86 73.24 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.53 1.532 . . . . 0.0 110.644 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.35 -67.32 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.999 2.466 . . . . 0.0 113.332 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.9 tp -166.51 -57.09 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.487 1.515 . . . . 0.0 112.414 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -72.27 -36.52 5.43 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 CA-C-N 121.992 1.747 . . . . 0.0 113.563 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.31 -25.82 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 118.864 0.757 . . . . 0.0 111.739 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.9 tp -56.24 -31.14 63.27 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.212 -0.93 . . . . 0.0 112.287 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -56.52 -43.58 79.92 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.219 0.918 . . . . 0.0 112.473 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -63.64 -41.59 98.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.995 0.518 . . . . 0.0 111.607 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -62.76 -49.19 75.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 119.177 -0.439 . . . . 0.0 111.283 174.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -54.45 -45.78 73.17 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.958 0.903 . . . . 0.0 112.05 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.95 -47.81 76.32 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.183 0.901 . . . . 0.0 113.008 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -45.72 67.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.496 0.718 . . . . 0.0 112.465 -176.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.9 t -62.92 -41.86 99.61 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.041 1.737 . . . . 0.0 110.875 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -59.89 -47.64 84.94 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.533 1.133 . . . . 0.0 112.491 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -60.64 -46.47 90.17 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.572 0.624 . . . . 0.0 111.539 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.1 mt -59.5 -50.82 72.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.52 0.728 . . . . 0.0 112.666 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.2 -36.9 81.14 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.904 0.775 . . . . 0.0 112.987 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 t -69.0 -42.86 75.89 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.459 1.103 . . . . 0.0 112.348 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 124.842 1.257 . . . . 0.0 113.311 177.553 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 mt . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 121.262 0.553 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.13 137.28 46.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.368 1.467 . . . . 0.0 109.856 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.56 154.34 24.95 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.336 1.454 . . . . 0.0 112.654 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t -104.91 118.18 35.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.373 1.469 . . . . 0.0 110.079 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -61.98 -15.81 46.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.075 1.35 . . . . 0.0 114.079 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -113.68 -4.84 13.38 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.08 1.352 . . . . 0.0 113.841 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.0 m -128.72 -25.71 2.81 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.59 -7.5 25.47 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.13 1.348 . . . . 0.0 116.173 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.7 tt -66.57 155.19 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.345 1.458 . . . . 0.0 111.948 173.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mp -120.77 131.69 54.63 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.594 1.558 . . . . 0.0 109.627 171.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.89 151.78 69.02 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.284 1.434 . . . . 0.0 110.309 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.19 -70.91 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.038 2.492 . . . . 0.0 113.214 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -167.22 -55.56 0.01 OUTLIER Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 124.92 1.288 . . . . 0.0 112.697 -177.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -70.29 -35.63 10.76 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.849 1.7 . . . . 0.0 112.677 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.4 mt -74.79 -29.36 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.376 1.07 . . . . 0.0 111.096 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.11 -35.23 69.2 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.361 -0.837 . . . . 0.0 112.231 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -57.11 -39.64 75.49 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 118.811 0.732 . . . . 0.0 112.758 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -66.94 -46.21 75.44 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.491 0.717 . . . . 0.0 111.738 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -62.52 -46.25 89.25 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.675 0.671 . . . . 0.0 110.852 175.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -56.09 -51.37 68.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.376 1.07 . . . . 0.0 111.934 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.3 -41.05 86.01 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.983 0.811 . . . . 0.0 112.963 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -48.55 63.14 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.763 0.71 . . . . 0.0 112.315 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.6 t -60.93 -46.86 89.0 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.284 1.834 . . . . 0.0 111.002 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -47.38 84.31 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.751 1.22 . . . . 0.0 112.233 172.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -61.62 -49.12 77.84 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.545 0.612 . . . . 0.0 111.934 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -44.52 96.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.774 0.829 . . . . 0.0 111.19 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -47.47 85.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.747 0.819 . . . . 0.0 112.384 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -62.98 -43.77 97.88 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.706 1.202 . . . . 0.0 112.674 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 176.147 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 120.689 0.28 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.29 136.28 49.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.271 1.428 . . . . 0.0 108.725 174.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -120.42 142.27 49.37 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.163 1.385 . . . . 0.0 112.191 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.0 t -85.54 124.08 31.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.866 0.866 . . . . 0.0 110.242 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -64.27 -15.45 60.14 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.247 1.019 . . . . 0.0 113.597 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -114.19 -30.63 6.58 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.708 1.203 . . . . 0.0 113.137 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.6 m -98.82 -22.42 15.84 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.87 -12.76 10.23 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.33 1.443 . . . . 0.0 116.559 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -67.18 154.93 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.015 1.326 . . . . 0.0 111.938 173.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.75 131.46 55.37 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.452 1.501 . . . . 0.0 109.269 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -124.93 150.02 64.91 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.108 1.363 . . . . 0.0 110.505 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -71.5 -69.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 123.162 2.575 . . . . 0.0 113.37 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.03 -54.87 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.759 1.224 . . . . 0.0 112.883 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.28 -39.01 1.24 Allowed 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.835 1.69 . . . . 0.0 112.879 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.3 mt -66.4 -29.25 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.042 0.937 . . . . 0.0 111.077 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.9 tp -55.66 -31.44 62.37 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.194 0.997 . . . . 0.0 112.633 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -56.35 -41.95 76.95 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.226 0.921 . . . . 0.0 112.315 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -64.62 -39.68 94.14 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.736 0.815 . . . . 0.0 112.059 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -64.4 -45.31 88.2 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.689 -0.632 . . . . 0.0 111.28 173.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.28 -45.29 84.24 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.083 0.856 . . . . 0.0 111.932 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.29 -40.53 77.67 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.178 0.899 . . . . 0.0 113.397 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -68.23 -49.29 61.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.956 1.253 . . . . 0.0 112.558 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -43.33 99.07 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.252 1.421 . . . . 0.0 109.952 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -59.01 -50.69 73.12 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.885 1.274 . . . . 0.0 112.609 169.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -59.5 -46.04 89.98 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.979 0.809 . . . . 0.0 111.847 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -46.39 78.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.246 0.619 . . . . 0.0 111.229 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.4 -32.41 73.24 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.2 t -75.73 -38.49 58.43 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.419 1.088 . . . . 0.0 112.19 173.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.336 1.455 . . . . 0.0 113.243 177.038 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -131.28 137.34 48.8 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.334 1.454 . . . . 0.0 109.777 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -99.11 151.54 20.85 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.774 1.23 . . . . 0.0 111.962 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.9 t -98.27 120.0 37.92 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.848 1.259 . . . . 0.0 109.91 173.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.0 p -68.2 -6.38 23.2 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.041 1.337 . . . . 0.0 114.556 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -121.17 -5.58 9.45 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.454 1.501 . . . . 0.0 113.315 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.9 m -130.2 -25.78 2.43 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.823 1.249 . . . . 0.0 113.757 -173.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.24 -8.1 33.94 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.079 1.323 . . . . 0.0 116.147 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.2 tt -68.57 155.39 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.386 1.474 . . . . 0.0 111.972 173.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mp -123.11 130.52 52.88 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.656 1.582 . . . . 0.0 110.176 172.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.73 151.98 76.26 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.561 1.544 . . . . 0.0 110.115 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.11 -69.29 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 122.793 2.329 . . . . 0.0 113.689 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.75 -56.36 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.958 1.303 . . . . 0.0 112.623 -176.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.44 -37.08 1.47 Allowed 'Trans proline' 0 C--N 1.355 0.905 0 CA-C-N 121.657 1.628 . . . . 0.0 113.612 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -69.35 -26.79 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 121.012 -1.055 . . . . 0.0 111.177 174.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.6 tp -57.49 -29.63 64.45 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 118.124 -0.941 . . . . 0.0 112.418 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -59.5 -39.4 83.66 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 120.343 1.429 . . . . 0.0 112.611 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.32 -45.7 79.39 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.242 0.617 . . . . 0.0 111.48 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -63.35 -45.64 90.27 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 118.395 0.543 . . . . 0.0 110.855 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -56.34 -49.96 72.87 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.529 1.132 . . . . 0.0 112.032 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.06 -41.07 95.47 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.601 1.091 . . . . 0.0 112.944 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -71.43 -48.43 49.61 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.592 0.757 . . . . 0.0 111.716 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.61 -44.56 96.15 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.701 2.001 . . . . 0.0 111.07 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -48.78 79.77 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.596 1.159 . . . . 0.0 112.312 172.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -62.84 -41.9 99.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.491 0.587 . . . . 0.0 112.247 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.31 -48.3 80.46 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.521 -0.737 . . . . 0.0 111.445 171.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.47 77.32 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.58 1.082 . . . . 0.0 113.597 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.4 p -76.23 -31.12 58.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.476 0.866 0 C-N-CA 124.573 1.149 . . . . 0.0 114.019 175.921 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 mt . . . . . 0 CA--C 1.542 0.66 0 CA-C-O 121.994 0.902 . . . . 0.0 112.928 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -131.68 148.76 52.61 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.33 1.852 . . . . 0.0 109.586 171.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -127.9 140.17 52.17 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.83 1.252 . . . . 0.0 111.405 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -79.59 116.66 19.92 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 122.873 0.469 . . . . 0.0 110.036 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 t -64.05 -8.87 13.17 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.398 1.079 . . . . 0.0 113.628 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -116.72 -16.41 10.67 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.067 1.347 . . . . 0.0 113.388 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.6 m -121.33 -18.53 7.31 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.578 1.151 . . . . 0.0 114.038 -175.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.54 -13.61 8.0 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.261 1.41 . . . . 0.0 116.228 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 tt -64.56 156.02 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.483 1.513 . . . . 0.0 112.304 174.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.95 135.27 53.55 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.531 1.532 . . . . 0.0 110.689 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -128.95 153.23 80.16 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.818 1.647 . . . . 0.0 110.282 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.73 -72.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.014 2.476 . . . . 0.0 112.948 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mt -159.27 -54.39 0.01 OUTLIER Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.607 1.163 . . . . 0.0 113.628 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -75.67 -38.38 1.35 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 CA-C-N 121.783 1.673 . . . . 0.0 113.499 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.27 -25.64 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.283 -0.886 . . . . 0.0 111.64 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.0 tp -54.9 -35.17 63.85 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.207 -0.933 . . . . 0.0 112.287 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.85 -38.89 79.74 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.7 0.8 . . . . 0.0 112.727 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.35 -44.1 84.19 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.634 0.773 . . . . 0.0 111.542 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.65 -47.82 79.74 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.464 0.575 . . . . 0.0 110.882 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -52.66 -54.06 38.66 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.16 0.984 . . . . 0.0 112.217 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.37 -39.41 94.45 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.75 1.159 . . . . 0.0 113.277 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -73.12 -46.91 48.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.652 0.66 . . . . 0.0 111.603 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.9 t -61.39 -44.56 96.94 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.982 1.713 . . . . 0.0 111.056 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -61.65 -48.08 82.45 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.376 1.07 . . . . 0.0 112.499 172.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -60.43 -45.39 93.8 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.598 0.636 . . . . 0.0 112.07 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.41 -49.94 71.8 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.424 1.09 . . . . 0.0 111.161 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.56 87.87 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.8 t -66.99 -42.15 85.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.142 0.977 . . . . 0.0 112.246 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.474 0.748 0 C-N-CA 124.207 1.003 . . . . 0.0 113.053 177.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -132.27 136.36 46.89 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.404 1.482 . . . . 0.0 109.551 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -112.56 151.29 30.19 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.534 1.533 . . . . 0.0 111.655 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 t -111.0 114.43 27.73 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.271 1.028 . . . . 0.0 110.4 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 p -61.49 -8.61 4.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.84 1.656 . . . . 0.0 114.989 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -114.63 -3.22 12.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.641 1.576 . . . . 0.0 112.956 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 m -133.46 -31.06 1.24 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -172.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.68 12.43 84.49 Favored Glycine 0 CA--C 1.542 1.745 0 N-CA-C 116.224 1.249 . . . . 0.0 116.224 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 tt -103.28 156.34 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.814 1.646 . . . . 0.0 110.937 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.1 128.28 48.21 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.374 1.47 . . . . 0.0 110.326 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -126.25 151.7 72.56 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 125.328 1.451 . . . . 0.0 110.27 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.65 -75.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.842 2.361 . . . . 0.0 112.951 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mt -159.39 -50.27 0.01 OUTLIER Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.414 1.485 . . . . 0.0 113.558 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -78.02 -41.16 0.31 Allowed 'Trans proline' 0 CA--C 1.541 0.83 0 CA-C-N 121.443 1.551 . . . . 0.0 113.632 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.86 -25.42 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 121.107 -0.995 . . . . 0.0 111.75 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.57 -26.17 42.13 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.542 1.137 . . . . 0.0 112.716 171.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -57.82 -44.99 86.77 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.293 0.951 . . . . 0.0 112.547 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -63.51 -40.34 96.8 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.763 -0.585 . . . . 0.0 111.318 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -61.43 -49.49 76.64 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.172 174.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -55.78 -43.87 77.19 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.472 0.709 . . . . 0.0 112.368 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -65.11 -47.64 76.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.341 0.973 . . . . 0.0 112.988 175.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -68.38 -47.94 66.05 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.73 0.696 . . . . 0.0 111.989 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 t -61.41 -43.23 99.23 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.124 1.769 . . . . 0.0 111.009 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -62.24 -47.41 84.48 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.287 1.035 . . . . 0.0 112.403 171.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -58.49 -45.98 87.61 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.757 0.708 . . . . 0.0 111.597 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -51.84 67.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.271 1.028 . . . . 0.0 110.859 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.48 85.42 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -69.68 -41.99 74.72 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.16 0.984 . . . . 0.0 112.435 176.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 124.924 1.289 . . . . 0.0 112.559 176.757 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 121.643 0.735 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -123.12 149.04 45.02 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.926 1.69 . . . . 0.0 110.09 171.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -131.77 165.88 22.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.188 1.795 . . . . 0.0 110.911 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -134.82 115.14 13.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.466 1.106 . . . . 0.0 110.18 -172.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -62.93 -4.83 2.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.392 1.877 . . . . 0.0 115.466 -173.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -125.06 4.81 7.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.508 1.523 . . . . 0.0 113.541 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.3 m -127.47 -32.49 2.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.005 1.322 . . . . 0.0 113.468 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.72 -14.12 14.7 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.464 1.506 . . . . 0.0 116.317 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -74.35 156.66 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.591 1.556 . . . . 0.0 112.385 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.33 137.5 54.67 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.342 1.457 . . . . 0.0 110.674 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -130.22 152.49 80.23 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.92 1.688 . . . . 0.0 110.35 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -74.05 -70.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.833 2.355 . . . . 0.0 113.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -162.94 -55.84 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.921 1.288 . . . . 0.0 113.344 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.27 -33.15 3.57 Favored 'Trans proline' 0 C--N 1.355 0.875 0 CA-C-N 121.827 1.688 . . . . 0.0 113.822 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.14 -25.76 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 121.102 -0.998 . . . . 0.0 111.242 173.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.7 tp -58.16 -25.44 61.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.584 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -53.92 -44.73 70.82 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.615 1.552 . . . . 0.0 113.09 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -63.65 -40.53 97.09 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.34 0.656 . . . . 0.0 111.713 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -65.89 -43.73 87.39 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.875 -0.516 . . . . 0.0 112.045 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -48.29 80.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.737 1.215 . . . . 0.0 111.14 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.72 -36.13 82.71 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.631 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -64.95 -53.35 47.74 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.03 1.286 . . . . 0.0 112.857 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 m -59.64 -42.33 92.51 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.235 0.614 . . . . 0.0 111.212 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.74 -46.17 89.31 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.145 0.978 . . . . 0.0 112.239 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -58.51 -45.91 87.82 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.415 1.086 . . . . 0.0 112.573 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.65 -44.15 82.68 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 118.846 -0.597 . . . . 0.0 112.078 173.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.59 98.8 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.145 0.884 . . . . 0.0 113.236 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.8 p -73.83 -35.47 64.83 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.415 0.686 . . . . 0.0 112.826 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.476 0.838 0 C-N-CA 123.464 0.706 . . . . 0.0 112.81 174.359 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 CA--C 1.542 0.66 0 CA-C-O 121.038 0.447 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -118.32 134.83 54.71 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.539 1.136 . . . . 0.0 110.218 173.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -106.31 147.47 29.14 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.446 1.899 . . . . 0.0 109.966 -176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.1 t -112.95 110.56 20.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.921 1.288 . . . . 0.0 109.466 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -63.33 -3.46 1.97 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.209 1.404 . . . . 0.0 114.513 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -122.51 -6.04 8.71 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.944 1.698 . . . . 0.0 113.334 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.3 m -132.07 -28.36 1.74 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.086 1.354 . . . . 0.0 113.874 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.54 -8.62 33.26 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.545 1.545 . . . . 0.0 116.148 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.44 158.71 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.705 1.602 . . . . 0.0 112.863 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mp -127.91 128.22 44.75 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.514 1.526 . . . . 0.0 110.752 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -128.49 150.89 75.71 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 125.678 1.591 . . . . 0.0 110.324 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -72.47 -63.97 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.13 2.554 . . . . 0.0 113.481 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.3 tp -169.13 -58.8 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.703 1.601 . . . . 0.0 112.016 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.08 -38.6 3.73 Favored 'Trans proline' 0 C--N 1.354 0.84 0 CA-C-N 121.783 1.672 . . . . 0.0 113.38 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -69.02 -27.02 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.962 0.801 . . . . 0.0 111.615 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.39 -30.48 64.94 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.238 -0.913 . . . . 0.0 112.184 173.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -57.1 -39.55 75.27 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.838 1.199 . . . . 0.0 112.54 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -69.14 -44.74 71.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.574 0.75 . . . . 0.0 112.191 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -62.09 -45.81 91.86 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.847 0.749 . . . . 0.0 110.777 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -55.87 -52.41 64.14 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.006 1.323 . . . . 0.0 111.688 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.09 -38.95 93.24 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.618 1.099 . . . . 0.0 113.268 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -46.84 43.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.757 0.823 . . . . 0.0 111.872 -177.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -60.96 -45.26 95.46 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.894 2.078 . . . . 0.0 110.735 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -57.58 -51.52 69.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.47 1.108 . . . . 0.0 112.362 170.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -62.33 -44.91 95.39 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.467 0.576 . . . . 0.0 111.883 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.33 -44.54 87.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.848 0.859 . . . . 0.0 112.43 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.11 75.88 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.799 0.84 . . . . 0.0 112.822 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.4 t -67.11 -41.78 85.64 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.055 0.942 . . . . 0.0 111.974 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 124.884 1.274 . . . . 0.0 113.814 176.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 CA--C 1.543 0.701 0 CA-C-O 120.542 0.211 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -112.98 143.12 44.82 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.06 1.744 . . . . 0.0 109.347 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -129.8 121.45 26.82 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.616 1.166 . . . . 0.0 111.928 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 t -78.1 121.22 24.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.195 1.398 . . . . 0.0 111.783 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -67.33 -6.57 19.35 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -122.28 -5.56 8.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.267 1.427 . . . . 0.0 113.193 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.4 m -129.83 -24.52 2.67 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.667 1.187 . . . . 0.0 113.846 -174.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.48 -11.03 19.95 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.177 1.37 . . . . 0.0 116.338 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 tp -68.92 149.49 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.71 1.604 . . . . 0.0 112.596 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -114.54 127.15 55.65 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.649 1.58 . . . . 0.0 110.038 173.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -126.88 146.05 56.01 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.84 1.256 . . . . 0.0 110.923 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.81 -66.09 0.03 OUTLIER 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.277 2.651 . . . . 0.0 113.727 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.1 tp -169.73 -58.41 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.749 1.62 . . . . 0.0 111.852 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.95 -32.28 29.03 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.712 1.608 . . . . 0.0 112.911 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.8 mt -80.28 -29.57 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.543 1.137 . . . . 0.0 111.195 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 tp -57.39 -34.41 68.84 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.873 0.869 . . . . 0.0 112.135 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -56.01 -38.73 70.9 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.843 0.857 . . . . 0.0 112.851 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -71.49 -42.63 67.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.698 0.799 . . . . 0.0 112.418 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -63.65 -44.9 92.48 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.936 0.789 . . . . 0.0 110.803 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -56.46 -50.33 72.02 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.403 1.081 . . . . 0.0 111.994 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -65.2 -39.85 93.37 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.228 0.922 . . . . 0.0 113.135 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -67.56 -50.39 58.7 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.456 1.026 . . . . 0.0 112.468 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.24 -44.71 95.94 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.001 1.721 . . . . 0.0 110.377 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -62.6 -46.61 87.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.864 1.266 . . . . 0.0 112.892 172.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -60.45 -45.86 92.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.814 0.734 . . . . 0.0 111.683 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 tp -63.49 -45.42 90.81 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.415 0.686 . . . . 0.0 111.71 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.81 84.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 t -72.89 -41.03 65.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.261 1.024 . . . . 0.0 112.461 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.472 0.644 0 C-N-CA 125.476 1.51 . . . . 0.0 113.139 176.857 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.1 mt . . . . . 0 CA--C 1.546 0.805 0 CA-C-O 121.706 0.765 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -127.78 145.3 50.96 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.311 1.445 . . . . 0.0 109.893 169.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.92 156.73 37.5 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.371 1.869 . . . . 0.0 110.415 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -129.88 113.7 14.96 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.083 1.353 . . . . 0.0 110.36 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 m -63.64 -4.66 3.15 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.916 1.686 . . . . 0.0 114.939 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -111.37 -5.56 14.62 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.625 1.57 . . . . 0.0 112.746 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.8 m -131.48 -36.89 1.24 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.755 1.222 . . . . 0.0 113.8 -170.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.75 -9.59 59.05 Favored Glycine 0 CA--C 1.543 1.827 0 C-N-CA 125.465 1.507 . . . . 0.0 116.55 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -76.27 160.87 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.539 1.535 . . . . 0.0 112.31 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.5 133.25 51.21 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.772 1.629 . . . . 0.0 110.933 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -128.6 150.33 74.35 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 125.498 1.519 . . . . 0.0 110.702 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -70.82 -68.38 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.193 2.595 . . . . 0.0 113.651 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 tp -167.95 -56.94 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.5 1.52 . . . . 0.0 111.882 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.06 -38.4 3.94 Favored 'Trans proline' 0 C--N 1.353 0.765 0 CA-C-N 121.647 1.624 . . . . 0.0 112.856 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mt -69.58 -25.64 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.074 0.95 . . . . 0.0 111.284 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.98 -26.6 60.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.16 0.984 . . . . 0.0 112.631 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -56.29 -43.36 78.79 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.79 1.177 . . . . 0.0 112.206 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -61.02 -41.72 97.1 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.829 -0.544 . . . . 0.0 111.428 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -59.57 -50.63 73.15 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.889 -0.577 . . . . 0.0 111.357 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -57.78 -43.52 85.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.941 0.791 . . . . 0.0 112.247 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -67.05 -44.38 80.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.399 0.999 . . . . 0.0 112.787 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -50.06 50.09 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.542 -0.724 . . . . 0.0 111.652 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.46 -40.88 92.8 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.118 1.767 . . . . 0.0 110.949 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -61.07 -50.09 74.68 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.389 1.076 . . . . 0.0 112.372 171.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -60.08 -43.05 95.76 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.773 0.715 . . . . 0.0 111.894 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.93 -48.32 77.02 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.317 1.047 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.7 78.46 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 t -68.1 -42.1 80.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.173 0.989 . . . . 0.0 112.249 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.047 1.339 . . . . 0.0 112.945 175.48 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 121.123 0.487 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -130.76 144.67 51.61 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.106 1.362 . . . . 0.0 109.229 167.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.44 133.72 55.56 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.412 1.485 . . . . 0.0 110.048 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -92.94 115.46 28.15 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.347 1.059 . . . . 0.0 110.624 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.3 p -62.93 -7.03 4.41 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -128.78 2.82 5.42 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.65 1.58 . . . . 0.0 113.977 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.2 m -130.03 -28.35 2.18 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.846 1.258 . . . . 0.0 113.62 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.56 -5.62 36.17 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.3 1.429 . . . . 0.0 116.074 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -68.19 156.57 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.254 1.422 . . . . 0.0 111.773 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -123.25 126.48 47.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.52 1.528 . . . . 0.0 110.037 173.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -122.93 148.5 54.17 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.897 1.279 . . . . 0.0 110.131 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.36 -76.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.103 2.535 . . . . 0.0 112.936 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mt -161.56 -56.34 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 125.648 1.579 . . . . 0.0 112.208 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.24 -1.79 11.73 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 123.387 2.725 . . . . 0.0 114.898 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.6 mt -114.04 -25.07 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.676 1.59 . . . . 0.0 110.494 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 tp -56.31 -41.27 75.71 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.285 1.034 . . . . 0.0 112.122 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -55.03 -43.72 73.98 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -66.02 -40.75 91.33 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.028 0.831 . . . . 0.0 112.031 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -61.82 -48.37 80.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.666 0.666 . . . . 0.0 110.871 170.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -60.63 -39.42 88.18 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.224 1.01 . . . . 0.0 112.967 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -64.82 -47.36 78.29 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.356 0.98 . . . . 0.0 112.596 172.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -66.27 -46.04 78.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.645 0.778 . . . . 0.0 112.805 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.1 t -60.54 -45.21 94.7 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.355 1.862 . . . . 0.0 110.258 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -64.11 -43.13 96.28 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.214 1.006 . . . . 0.0 112.928 172.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -58.71 -49.29 78.14 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.347 0.976 . . . . 0.0 111.297 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.99 -48.72 80.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.328 0.651 . . . . 0.0 111.569 177.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.04 85.61 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -67.48 -45.21 76.55 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.483 1.113 . . . . 0.0 112.103 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 176.409 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 CA--C 1.543 0.689 0 CA-C-O 120.357 0.122 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.26 125.12 28.62 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.468 1.107 . . . . 0.0 110.16 -176.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.71 139.31 32.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.125 1.37 . . . . 0.0 112.874 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -76.61 120.51 21.9 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.843 0.857 . . . . 0.0 109.903 166.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.6 p -66.79 -6.86 17.67 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -118.81 -14.06 9.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.076 1.35 . . . . 0.0 113.076 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.7 m -122.73 -22.2 5.41 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.649 1.179 . . . . 0.0 113.898 -175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.16 -15.07 9.3 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.378 1.466 . . . . 0.0 116.007 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.2 tt -67.46 148.89 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.172 1.389 . . . . 0.0 111.825 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mp -112.4 134.08 54.14 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.599 1.56 . . . . 0.0 110.064 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.24 150.21 66.45 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.923 1.289 . . . . 0.0 110.661 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.52 -63.47 0.04 OUTLIER 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.1 2.533 . . . . 0.0 113.688 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -169.06 -59.24 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 125.251 1.42 . . . . 0.0 111.913 -176.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.48 -29.04 37.99 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.223 1.949 . . . . 0.0 113.437 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 mt -86.22 -29.22 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.379 1.072 . . . . 0.0 111.367 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -44.68 90.31 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.967 0.907 . . . . 0.0 110.695 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -55.81 -48.97 74.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.308 0.643 . . . . 0.0 111.833 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -61.53 -42.89 99.49 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.879 -0.513 . . . . 0.0 112.265 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -60.52 -43.83 96.69 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.332 0.515 . . . . 0.0 111.74 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -63.99 -41.13 97.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.265 1.026 . . . . 0.0 112.671 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -63.08 -36.98 85.39 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.817 0.735 . . . . 0.0 112.153 172.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -71.39 -43.96 65.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.489 0.716 . . . . 0.0 112.032 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 m -54.83 -48.03 73.36 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.383 1.073 . . . . 0.0 111.483 169.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -56.7 -49.49 74.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.269 1.028 . . . . 0.0 112.532 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -61.98 -47.2 85.87 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.999 0.52 . . . . 0.0 111.994 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.57 -48.72 79.66 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.338 0.655 . . . . 0.0 112.173 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.47 87.41 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -72.74 -36.05 67.66 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.667 0.787 . . . . 0.0 112.63 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 124.256 1.022 . . . . 0.0 112.185 175.081 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -127.12 134.75 50.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.695 1.598 . . . . 0.0 109.734 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -107.27 145.61 32.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.459 1.504 . . . . 0.0 111.256 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.4 t -104.17 125.05 50.15 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.111 1.364 . . . . 0.0 110.555 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -64.79 -10.9 31.28 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.81 1.782 . . . . 0.0 115.81 -170.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -117.17 0.28 12.27 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.334 1.454 . . . . 0.0 113.353 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 m -128.49 -31.47 2.26 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -170.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.39 -19.28 3.11 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 125.653 1.597 . . . . 0.0 116.176 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 tp -62.97 153.07 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.465 1.506 . . . . 0.0 111.874 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.41 128.83 55.0 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.98 1.712 . . . . 0.0 109.783 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.21 146.09 48.16 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.048 1.339 . . . . 0.0 110.824 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -71.97 -69.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.064 2.509 . . . . 0.0 113.923 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.81 -56.15 0.01 OUTLIER Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.888 1.275 . . . . 0.0 112.925 -177.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -69.83 -36.11 11.22 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.71 1.607 . . . . 0.0 112.707 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.0 mt -74.47 -29.27 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.227 1.011 . . . . 0.0 110.987 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -57.52 -28.33 63.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.048 -1.032 . . . . 0.0 112.848 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -54.61 -45.83 73.74 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.814 0.845 . . . . 0.0 113.057 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -66.7 -35.56 80.41 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.497 0.589 . . . . 0.0 111.749 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -68.95 -42.26 76.91 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.381 0.673 . . . . 0.0 111.72 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -47.14 87.16 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.718 0.807 . . . . 0.0 111.492 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.78 -39.1 90.66 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -63.56 -50.42 69.56 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.154 0.888 . . . . 0.0 112.704 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.1 m -58.87 -44.6 91.14 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.865 0.757 . . . . 0.0 111.903 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -58.24 -49.86 75.6 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.614 0.766 . . . . 0.0 112.247 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -62.43 -46.7 87.37 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.923 0.489 . . . . 0.0 111.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.5 tp -65.51 -42.69 91.79 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.816 0.846 . . . . 0.0 112.4 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.78 85.38 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.724 -0.61 . . . . 0.0 112.388 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -69.84 -44.81 69.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.022 0.929 . . . . 0.0 112.734 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 121.051 0.453 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -123.8 141.25 52.2 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.324 1.45 . . . . 0.0 109.305 171.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 ptt85 -120.3 157.64 28.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.88 1.272 . . . . 0.0 112.061 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 29.5 t -100.2 124.33 45.49 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.732 1.213 . . . . 0.0 109.797 178.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 m -65.6 -3.95 5.37 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.381 1.473 . . . . 0.0 114.371 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -121.53 -42.47 2.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.61 1.564 . . . . 0.0 111.803 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 13.6 m -86.44 -25.78 25.04 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -174.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.98 -17.37 7.25 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.429 1.49 . . . . 0.0 116.601 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.9 tt -64.45 158.09 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.828 1.651 . . . . 0.0 112.565 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.03 133.59 53.62 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.074 1.75 . . . . 0.0 110.505 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -129.45 152.03 78.91 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.646 1.579 . . . . 0.0 110.689 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.21 -70.08 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.03 2.487 . . . . 0.0 113.249 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.5 tp -163.02 -58.18 0.01 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.093 1.357 . . . . 0.0 112.273 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -71.57 -36.32 6.79 Favored 'Trans proline' 0 C--N 1.354 0.853 0 CA-C-N 122.146 1.802 . . . . 0.0 113.613 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.53 -24.32 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.368 -0.832 . . . . 0.0 111.932 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 tp -56.87 -27.87 61.05 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.021 -1.049 . . . . 0.0 112.427 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -54.17 -46.94 72.46 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.919 0.888 . . . . 0.0 112.466 173.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -62.15 -39.43 92.58 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.712 -0.618 . . . . 0.0 111.613 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -64.44 -45.64 86.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -59.87 -46.03 90.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 118.504 0.593 . . . . 0.0 111.581 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.49 -41.65 98.94 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.735 0.698 . . . . 0.0 112.324 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -65.95 -48.78 70.19 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.402 1.001 . . . . 0.0 112.955 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.62 -47.34 82.46 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.796 0.839 . . . . 0.0 111.193 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -63.1 -43.32 98.81 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.818 0.847 . . . . 0.0 112.78 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -62.77 -45.9 90.52 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.777 0.717 . . . . 0.0 112.023 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.06 -41.33 95.23 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.514 -0.741 . . . . 0.0 111.284 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.52 94.32 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.0 p -77.95 -27.46 49.28 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.389 0.995 . . . . 0.0 113.413 176.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.475 0.817 0 C-N-CA 125.204 1.402 . . . . 0.0 113.663 173.763 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.724 0.297 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.4 131.74 50.25 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.206 1.402 . . . . 0.0 109.087 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -105.69 139.47 40.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 112.315 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.6 t -81.06 123.23 28.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.786 0.834 . . . . 0.0 110.422 173.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -64.53 -14.42 57.32 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -113.35 -35.97 5.13 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.572 1.149 . . . . 0.0 112.708 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.8 m -91.71 -21.8 20.55 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -174.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.01 -15.52 5.15 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.807 1.67 . . . . 0.0 116.122 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.48 153.89 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.701 1.6 . . . . 0.0 112.379 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 mp -116.58 133.71 55.69 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.934 1.694 . . . . 0.0 110.136 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -127.93 151.03 75.12 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.35 1.46 . . . . 0.0 110.303 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.91 -68.72 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.178 2.585 . . . . 0.0 113.22 -176.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.8 tp -161.39 -58.97 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.682 1.193 . . . . 0.0 113.064 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -69.21 -36.96 11.22 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 CA-C-N 121.866 1.702 . . . . 0.0 113.123 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.73 -27.95 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.547 0.739 . . . . 0.0 111.542 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.57 -43.48 84.58 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.328 -0.857 . . . . 0.0 111.235 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.92 -39.93 79.18 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.9 -42.95 94.31 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.746 -0.597 . . . . 0.0 112.096 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -60.5 -47.3 86.73 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.79 0.723 . . . . 0.0 110.833 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.74 -43.95 85.7 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.807 0.843 . . . . 0.0 112.27 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.52 -47.16 76.87 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -64.55 -46.89 80.88 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.285 0.948 . . . . 0.0 112.368 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.32 -44.22 97.01 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.449 1.5 . . . . 0.0 110.556 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.86 -45.74 92.49 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.306 1.042 . . . . 0.0 112.701 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -58.61 -48.26 81.58 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.78 0.718 . . . . 0.0 111.494 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.21 -44.14 92.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.772 0.829 . . . . 0.0 112.26 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.54 72.15 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.54 -0.725 . . . . 0.0 112.939 175.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -77.24 -46.85 21.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.371 1.068 . . . . 0.0 112.691 176.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -178.127 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.5 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -130.9 28.89 4.79 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.666 1.586 . . . . 0.0 111.908 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.54 174.84 1.58 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.909 1.683 . . . . 0.0 113.775 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -130.49 179.72 5.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.996 1.718 . . . . 0.0 111.171 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m 57.78 41.71 24.59 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.832 1.253 . . . . 0.0 112.483 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -129.1 15.24 6.25 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.918 1.687 . . . . 0.0 113.504 -172.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -119.08 156.09 52.66 Favored Pre-proline 0 N--CA 1.472 0.669 0 C-N-CA 126.635 1.974 . . . . 0.0 112.116 -174.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.01 127.74 15.65 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.915 2.41 . . . . 0.0 111.376 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -155.15 166.32 33.93 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.883 1.673 . . . . 0.0 110.476 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.6 156.47 27.07 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 123.679 0.657 . . . . 0.0 113.947 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -111.58 131.37 55.3 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.858 1.263 . . . . 0.0 111.181 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -154.06 168.23 27.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.223 1.809 . . . . 0.0 110.227 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.18 21.89 8.75 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.595 1.558 . . . . 0.0 112.979 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.16 12.45 3.9 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.751 1.62 . . . . 0.0 113.561 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -68.19 -7.64 31.94 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.719 -1.238 . . . . 0.0 114.083 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -86.05 -30.73 22.4 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.883 1.673 . . . . 0.0 114.025 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -42.09 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 118.955 0.798 . . . . 0.0 111.169 174.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.23 154.25 28.08 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.42 0.688 . . . . 0.0 111.548 173.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -126.65 143.76 51.13 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.515 1.526 . . . . 0.0 109.786 173.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -124.65 155.13 39.69 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.725 1.61 . . . . 0.0 111.817 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -113.74 117.19 30.81 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.99 1.316 . . . . 0.0 110.273 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -60.77 -14.27 20.34 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.48 1.512 . . . . 0.0 114.439 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -115.26 -2.13 12.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.128 1.371 . . . . 0.0 114.043 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.9 m -128.13 -27.45 2.73 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.66 -3.41 34.55 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.308 1.432 . . . . 0.0 116.554 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -77.38 156.24 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.526 1.531 . . . . 0.0 111.683 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.48 130.67 53.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.508 1.523 . . . . 0.0 110.691 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.07 150.86 73.24 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.53 1.532 . . . . 0.0 110.644 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.35 -67.32 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.999 2.466 . . . . 0.0 113.332 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.9 tp -166.51 -57.09 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.487 1.515 . . . . 0.0 112.414 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -72.27 -36.52 5.43 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 CA-C-N 121.992 1.747 . . . . 0.0 113.563 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.31 -25.82 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 118.864 0.757 . . . . 0.0 111.739 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.9 tp -56.24 -31.14 63.27 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.212 -0.93 . . . . 0.0 112.287 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -56.52 -43.58 79.92 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.219 0.918 . . . . 0.0 112.473 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -63.64 -41.59 98.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.995 0.518 . . . . 0.0 111.607 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -62.76 -49.19 75.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 119.177 -0.439 . . . . 0.0 111.283 174.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -54.45 -45.78 73.17 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.958 0.903 . . . . 0.0 112.05 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.95 -47.81 76.32 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.183 0.901 . . . . 0.0 113.008 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -45.72 67.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.496 0.718 . . . . 0.0 112.465 -176.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.9 t -62.92 -41.86 99.61 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.041 1.737 . . . . 0.0 110.875 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -59.89 -47.64 84.94 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.533 1.133 . . . . 0.0 112.491 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -60.64 -46.47 90.17 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.572 0.624 . . . . 0.0 111.539 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.1 mt -59.5 -50.82 72.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.52 0.728 . . . . 0.0 112.666 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.2 -36.9 81.14 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.904 0.775 . . . . 0.0 112.987 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 t -69.0 -42.86 75.89 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.459 1.103 . . . . 0.0 112.348 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -67.69 -33.53 75.09 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.842 1.257 . . . . 0.0 113.311 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -75.22 59.95 1.04 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.041 2.136 . . . . 0.0 112.647 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -121.06 81.98 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 126.492 1.996 . . . . 0.0 111.902 -175.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.31 157.21 32.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.82 1.648 . . . . 0.0 111.986 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 52.18 25.51 3.35 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 125.909 1.684 . . . . 0.0 113.8 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.68 143.96 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.528 1.131 . . . . 0.0 111.864 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -157.75 120.77 3.93 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.818 1.247 . . . . 0.0 110.94 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -157.06 128.22 6.83 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.191 1.396 . . . . 0.0 111.147 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -155.25 163.04 40.71 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.466 1.906 . . . . 0.0 111.229 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.057 1.743 . . . . 0.0 113.198 177.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.485 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 p -144.59 169.77 17.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.633 1.573 . . . . 0.0 111.658 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -131.11 98.45 4.58 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.832 1.253 . . . . 0.0 110.658 -170.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -129.28 19.75 5.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.051 1.74 . . . . 0.0 112.554 -175.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -51.65 135.84 28.05 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.308 1.443 . . . . 0.0 113.252 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 p -157.47 133.29 9.32 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.195 1.398 . . . . 0.0 111.082 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.7 m -151.39 154.23 33.35 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 125.979 1.712 . . . . 0.0 111.058 -177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.1 162.7 40.98 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.083 2.522 . . . . 0.0 112.679 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -63.79 -16.9 62.37 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.892 1.677 . . . . 0.0 115.444 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.79 33.89 81.4 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.373 0.987 . . . . 0.0 114.488 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -56.99 116.41 3.19 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.423 1.089 . . . . 0.0 112.019 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -147.53 141.23 25.63 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.897 1.679 . . . . 0.0 109.856 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.64 12.22 1.37 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.38 137.29 32.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.232 1.413 . . . . 0.0 111.6 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -147.08 -10.13 0.44 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.058 1.343 . . . . 0.0 114.065 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.19 -46.12 14.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.415 1.086 . . . . 0.0 112.579 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.72 -48.39 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.712 0.805 . . . . 0.0 111.39 175.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.49 153.49 41.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.264 0.626 . . . . 0.0 111.409 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.13 137.28 46.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.368 1.467 . . . . 0.0 109.856 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.56 154.34 24.95 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.336 1.454 . . . . 0.0 112.654 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t -104.91 118.18 35.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.373 1.469 . . . . 0.0 110.079 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -61.98 -15.81 46.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.075 1.35 . . . . 0.0 114.079 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -113.68 -4.84 13.38 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.08 1.352 . . . . 0.0 113.841 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.0 m -128.72 -25.71 2.81 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.59 -7.5 25.47 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.13 1.348 . . . . 0.0 116.173 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.7 tt -66.57 155.19 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.345 1.458 . . . . 0.0 111.948 173.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mp -120.77 131.69 54.63 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.594 1.558 . . . . 0.0 109.627 171.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.89 151.78 69.02 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.284 1.434 . . . . 0.0 110.309 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.19 -70.91 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.038 2.492 . . . . 0.0 113.214 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -167.22 -55.56 0.01 OUTLIER Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 124.92 1.288 . . . . 0.0 112.697 -177.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -70.29 -35.63 10.76 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.849 1.7 . . . . 0.0 112.677 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.4 mt -74.79 -29.36 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.376 1.07 . . . . 0.0 111.096 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.11 -35.23 69.2 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.361 -0.837 . . . . 0.0 112.231 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -57.11 -39.64 75.49 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 118.811 0.732 . . . . 0.0 112.758 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -66.94 -46.21 75.44 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.491 0.717 . . . . 0.0 111.738 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -62.52 -46.25 89.25 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.675 0.671 . . . . 0.0 110.852 175.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -56.09 -51.37 68.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.376 1.07 . . . . 0.0 111.934 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.3 -41.05 86.01 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.983 0.811 . . . . 0.0 112.963 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -48.55 63.14 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.763 0.71 . . . . 0.0 112.315 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.6 t -60.93 -46.86 89.0 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.284 1.834 . . . . 0.0 111.002 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -47.38 84.31 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.751 1.22 . . . . 0.0 112.233 172.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -61.62 -49.12 77.84 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.545 0.612 . . . . 0.0 111.934 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -44.52 96.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.774 0.829 . . . . 0.0 111.19 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -47.47 85.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.747 0.819 . . . . 0.0 112.384 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -62.98 -43.77 97.88 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.706 1.202 . . . . 0.0 112.674 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 m -72.63 -16.01 61.72 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 49.43 35.49 8.19 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.149 1.78 . . . . 0.0 112.566 -177.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.71 -13.4 83.06 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.694 1.14 . . . . 0.0 115.273 -170.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -143.38 154.85 44.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.048 1.739 . . . . 0.0 109.818 174.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.55 42.49 3.09 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.444 1.498 . . . . 0.0 112.511 -169.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.21 -5.55 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 125.387 1.475 . . . . 0.0 114.791 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.84 159.82 39.5 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.149 1.779 . . . . 0.0 112.326 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -144.46 141.65 29.73 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.935 1.694 . . . . 0.0 110.563 -176.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -154.04 168.87 25.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.425 1.49 . . . . 0.0 111.255 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.252 1.214 0 C-N-CA 125.685 1.594 . . . . 0.0 112.358 -177.003 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.02 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m 52.95 25.01 3.69 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -78.44 131.1 36.77 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.833 -1.167 . . . . 0.0 111.273 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -140.22 138.74 35.33 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.558 1.543 . . . . 0.0 110.624 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 m -150.68 147.23 27.12 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.004 1.721 . . . . 0.0 109.216 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 p -61.16 138.17 58.22 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.681 0.792 . . . . 0.0 112.674 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -65.83 152.9 92.34 Favored Pre-proline 0 N--CA 1.474 0.736 0 C-N-CA 124.37 1.068 . . . . 0.0 112.275 176.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -67.75 146.74 73.71 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.943 2.429 . . . . 0.0 112.159 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -144.58 145.49 31.84 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.333 1.853 . . . . 0.0 109.991 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.39 61.12 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 N-CA-C 114.462 0.545 . . . . 0.0 114.462 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -142.21 154.54 44.88 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.237 1.015 . . . . 0.0 112.005 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -151.27 127.34 10.44 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.733 1.613 . . . . 0.0 110.238 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.73 24.8 2.4 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.917 1.287 . . . . 0.0 112.797 -172.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.69 33.37 0.05 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.122 2.169 . . . . 0.0 115.069 -175.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -73.06 28.22 0.06 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.851 2.06 . . . . 0.0 113.925 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 t70 55.73 10.77 0.57 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.929 2.492 . . . . 0.0 115.619 -172.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -41.61 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.325 1.45 . . . . 0.0 112.086 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.18 154.05 35.96 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.915 0.886 . . . . 0.0 111.68 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.29 136.28 49.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.271 1.428 . . . . 0.0 108.725 174.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -120.42 142.27 49.37 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.163 1.385 . . . . 0.0 112.191 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.0 t -85.54 124.08 31.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.866 0.866 . . . . 0.0 110.242 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -64.27 -15.45 60.14 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.247 1.019 . . . . 0.0 113.597 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -114.19 -30.63 6.58 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.708 1.203 . . . . 0.0 113.137 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.6 m -98.82 -22.42 15.84 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.87 -12.76 10.23 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.33 1.443 . . . . 0.0 116.559 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -67.18 154.93 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.015 1.326 . . . . 0.0 111.938 173.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.75 131.46 55.37 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.452 1.501 . . . . 0.0 109.269 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -124.93 150.02 64.91 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.108 1.363 . . . . 0.0 110.505 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -71.5 -69.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 123.162 2.575 . . . . 0.0 113.37 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.03 -54.87 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.759 1.224 . . . . 0.0 112.883 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.28 -39.01 1.24 Allowed 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.835 1.69 . . . . 0.0 112.879 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.3 mt -66.4 -29.25 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.042 0.937 . . . . 0.0 111.077 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.9 tp -55.66 -31.44 62.37 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.194 0.997 . . . . 0.0 112.633 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -56.35 -41.95 76.95 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.226 0.921 . . . . 0.0 112.315 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -64.62 -39.68 94.14 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.736 0.815 . . . . 0.0 112.059 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -64.4 -45.31 88.2 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.689 -0.632 . . . . 0.0 111.28 173.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.28 -45.29 84.24 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.083 0.856 . . . . 0.0 111.932 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.29 -40.53 77.67 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.178 0.899 . . . . 0.0 113.397 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -68.23 -49.29 61.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.956 1.253 . . . . 0.0 112.558 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -43.33 99.07 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.252 1.421 . . . . 0.0 109.952 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -59.01 -50.69 73.12 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.885 1.274 . . . . 0.0 112.609 169.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -59.5 -46.04 89.98 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.979 0.809 . . . . 0.0 111.847 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -46.39 78.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.246 0.619 . . . . 0.0 111.229 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.4 -32.41 73.24 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.2 t -75.73 -38.49 58.43 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.419 1.088 . . . . 0.0 112.19 173.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 t -68.54 -31.69 71.1 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.336 1.455 . . . . 0.0 113.243 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 54.48 25.98 6.71 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.412 1.885 . . . . 0.0 113.73 -175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.19 163.26 52.72 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.74 1.162 . . . . 0.0 114.653 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.96 81.17 6.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.38 1.472 . . . . 0.0 111.893 -177.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -76.33 168.4 20.13 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.902 1.281 . . . . 0.0 111.182 167.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.1 m -121.19 155.02 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.79 1.636 . . . . 0.0 111.532 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -150.24 173.07 14.37 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.739 1.216 . . . . 0.0 113.485 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -132.85 -17.5 2.46 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -147.07 -19.44 0.4 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.251 1.141 0 C-N-CA 125.169 1.388 . . . . 0.0 112.268 -173.251 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.064 -0.415 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -125.84 108.8 11.82 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.552 1.541 . . . . 0.0 109.343 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -86.02 48.77 1.66 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.82 1.248 . . . . 0.0 112.789 -165.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -42.15 -46.27 4.3 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.594 1.957 . . . . 0.0 115.107 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.2 p -138.98 7.5 2.46 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 125.375 1.47 . . . . 0.0 113.241 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -88.45 46.3 1.37 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.485 1.514 . . . . 0.0 112.696 -172.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.4 m -142.43 153.6 62.61 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 125.675 1.59 . . . . 0.0 111.833 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.51 152.47 78.46 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.219 2.612 . . . . 0.0 112.095 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -62.93 -38.9 92.85 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.201 1.0 . . . . 0.0 113.626 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 48.18 -132.58 19.28 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.665 1.126 . . . . 0.0 113.223 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -145.32 164.38 31.64 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.901 1.28 . . . . 0.0 112.147 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -76.85 77.92 3.44 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.903 1.281 . . . . 0.0 112.201 -176.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.09 -5.92 3.58 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.56 59.66 0.14 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.491 2.316 . . . . 0.0 114.231 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -124.27 30.36 6.09 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.203 1.801 . . . . 0.0 111.964 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t0 51.46 39.85 25.44 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.212 1.805 . . . . 0.0 113.838 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.8 tt -128.84 -30.93 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.593 1.957 . . . . 0.0 112.864 -174.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt -135.26 165.2 25.98 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.572 1.949 . . . . 0.0 109.536 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -131.28 137.34 48.8 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.334 1.454 . . . . 0.0 109.777 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -99.11 151.54 20.85 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.774 1.23 . . . . 0.0 111.962 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.9 t -98.27 120.0 37.92 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.848 1.259 . . . . 0.0 109.91 173.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.0 p -68.2 -6.38 23.2 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.041 1.337 . . . . 0.0 114.556 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -121.17 -5.58 9.45 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.454 1.501 . . . . 0.0 113.315 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.9 m -130.2 -25.78 2.43 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.823 1.249 . . . . 0.0 113.757 -173.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.24 -8.1 33.94 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.079 1.323 . . . . 0.0 116.147 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.2 tt -68.57 155.39 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.386 1.474 . . . . 0.0 111.972 173.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mp -123.11 130.52 52.88 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.656 1.582 . . . . 0.0 110.176 172.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.73 151.98 76.26 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.561 1.544 . . . . 0.0 110.115 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.11 -69.29 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 122.793 2.329 . . . . 0.0 113.689 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.75 -56.36 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.958 1.303 . . . . 0.0 112.623 -176.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.44 -37.08 1.47 Allowed 'Trans proline' 0 C--N 1.355 0.905 0 CA-C-N 121.657 1.628 . . . . 0.0 113.612 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -69.35 -26.79 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 121.012 -1.055 . . . . 0.0 111.177 174.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.6 tp -57.49 -29.63 64.45 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 118.124 -0.941 . . . . 0.0 112.418 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -59.5 -39.4 83.66 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 120.343 1.429 . . . . 0.0 112.611 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.32 -45.7 79.39 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.242 0.617 . . . . 0.0 111.48 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -63.35 -45.64 90.27 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 118.395 0.543 . . . . 0.0 110.855 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -56.34 -49.96 72.87 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.529 1.132 . . . . 0.0 112.032 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.06 -41.07 95.47 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.601 1.091 . . . . 0.0 112.944 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -71.43 -48.43 49.61 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.592 0.757 . . . . 0.0 111.716 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.61 -44.56 96.15 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.701 2.001 . . . . 0.0 111.07 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -48.78 79.77 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.596 1.159 . . . . 0.0 112.312 172.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -62.84 -41.9 99.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.491 0.587 . . . . 0.0 112.247 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.31 -48.3 80.46 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.521 -0.737 . . . . 0.0 111.445 171.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.47 77.32 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.58 1.082 . . . . 0.0 113.597 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.4 p -76.23 -31.12 58.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -77.79 -23.49 49.14 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.573 1.149 . . . . 0.0 114.019 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -73.77 46.14 0.21 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.532 2.333 . . . . 0.0 113.286 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.91 49.86 2.55 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 126.508 2.004 . . . . 0.0 114.517 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.16 66.24 1.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.186 2.194 . . . . 0.0 112.847 -177.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -136.37 46.36 2.27 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.401 1.481 . . . . 0.0 112.854 -172.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.7 m -128.7 157.4 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 125.545 1.538 . . . . 0.0 112.922 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -78.84 55.99 1.83 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.306 1.843 . . . . 0.0 112.425 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -132.69 -2.98 3.31 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.314 1.446 . . . . 0.0 113.502 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -140.19 109.19 6.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.957 1.303 . . . . 0.0 110.131 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.422 1.889 . . . . 0.0 111.857 -172.084 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.367 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -151.47 22.79 0.72 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.179 1.392 . . . . 0.0 111.299 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -55.83 154.61 6.92 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.847 2.459 . . . . 0.0 112.508 -174.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -129.35 1.66 5.11 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.704 1.202 . . . . 0.0 113.362 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -152.48 152.54 32.07 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.255 1.822 . . . . 0.0 109.966 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -101.29 164.46 11.77 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.661 1.184 . . . . 0.0 111.965 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 m -133.28 61.81 56.99 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.176 1.39 . . . . 0.0 112.303 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.94 -2.21 12.22 Favored 'Trans proline' 0 CA--C 1.547 1.173 0 C-N-CA 124.098 3.199 . . . . 0.0 114.068 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -131.54 168.92 16.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.131 2.172 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.34 145.06 31.89 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.296 0.95 . . . . 0.0 113.863 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.01 168.43 20.04 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.793 1.237 . . . . 0.0 114.31 -174.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -101.69 -49.79 3.89 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.929 1.692 . . . . 0.0 113.925 -175.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.65 -5.77 0.18 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.288 1.435 . . . . 0.0 114.145 -174.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.66 30.55 0.16 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.063 1.745 . . . . 0.0 114.169 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -58.46 -15.41 10.82 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.107 1.363 . . . . 0.0 114.648 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -68.16 -34.17 75.83 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.127 1.371 . . . . 0.0 114.318 174.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.57 -33.1 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 119.195 0.907 . . . . 0.0 111.58 174.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 mt -63.28 165.15 7.84 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.994 0.902 . . . . 0.0 112.928 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -131.68 148.76 52.61 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.33 1.852 . . . . 0.0 109.586 171.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -127.9 140.17 52.17 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.83 1.252 . . . . 0.0 111.405 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -79.59 116.66 19.92 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 122.873 0.469 . . . . 0.0 110.036 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 t -64.05 -8.87 13.17 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.398 1.079 . . . . 0.0 113.628 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -116.72 -16.41 10.67 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.067 1.347 . . . . 0.0 113.388 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.6 m -121.33 -18.53 7.31 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.578 1.151 . . . . 0.0 114.038 -175.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.54 -13.61 8.0 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.261 1.41 . . . . 0.0 116.228 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 tt -64.56 156.02 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.483 1.513 . . . . 0.0 112.304 174.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.95 135.27 53.55 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.531 1.532 . . . . 0.0 110.689 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -128.95 153.23 80.16 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.818 1.647 . . . . 0.0 110.282 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.73 -72.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.014 2.476 . . . . 0.0 112.948 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mt -159.27 -54.39 0.01 OUTLIER Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.607 1.163 . . . . 0.0 113.628 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -75.67 -38.38 1.35 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 CA-C-N 121.783 1.673 . . . . 0.0 113.499 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.27 -25.64 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.283 -0.886 . . . . 0.0 111.64 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.0 tp -54.9 -35.17 63.85 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.207 -0.933 . . . . 0.0 112.287 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.85 -38.89 79.74 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.7 0.8 . . . . 0.0 112.727 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.35 -44.1 84.19 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.634 0.773 . . . . 0.0 111.542 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.65 -47.82 79.74 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.464 0.575 . . . . 0.0 110.882 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -52.66 -54.06 38.66 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.16 0.984 . . . . 0.0 112.217 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.37 -39.41 94.45 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.75 1.159 . . . . 0.0 113.277 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -73.12 -46.91 48.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.652 0.66 . . . . 0.0 111.603 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.9 t -61.39 -44.56 96.94 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.982 1.713 . . . . 0.0 111.056 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -61.65 -48.08 82.45 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.376 1.07 . . . . 0.0 112.499 172.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -60.43 -45.39 93.8 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.598 0.636 . . . . 0.0 112.07 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.41 -49.94 71.8 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.424 1.09 . . . . 0.0 111.161 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.56 87.87 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.8 t -66.99 -42.15 85.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.142 0.977 . . . . 0.0 112.246 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.0 m -70.6 -33.22 70.81 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.207 1.003 . . . . 0.0 113.053 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -77.16 59.97 1.83 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.687 1.995 . . . . 0.0 111.857 176.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.58 -25.89 67.72 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.781 1.181 . . . . 0.0 114.237 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -69.82 108.4 3.94 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.966 1.307 . . . . 0.0 111.059 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -67.03 124.21 22.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.628 0.771 . . . . 0.0 110.86 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.8 m -147.55 162.77 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.605 1.562 . . . . 0.0 111.577 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -55.98 137.58 50.59 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.231 1.012 . . . . 0.0 111.271 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -152.32 150.48 29.78 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.138 1.375 . . . . 0.0 111.464 -173.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -76.95 146.67 37.38 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.8 p . . . . . 0 C--O 1.252 1.192 0 C-N-CA 126.32 1.848 . . . . 0.0 114.322 171.792 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 CA-C-O 118.205 -1.33 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -155.99 168.5 27.04 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.701 1.201 . . . . 0.0 110.9 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -86.84 76.66 9.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.528 1.531 . . . . 0.0 111.531 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -59.26 140.15 56.27 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.76 0.824 . . . . 0.0 112.024 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 t -71.12 176.37 4.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.321 1.048 . . . . 0.0 112.408 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -139.66 177.27 8.07 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.604 1.561 . . . . 0.0 111.63 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.0 m -122.9 150.08 58.09 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.431 1.492 . . . . 0.0 111.912 -170.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.28 150.23 70.91 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.168 2.579 . . . . 0.0 112.52 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -68.82 168.21 13.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.34 1.056 . . . . 0.0 112.684 170.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.25 169.75 42.83 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.976 1.274 . . . . 0.0 112.845 173.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -69.82 161.89 28.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.075 0.95 . . . . 0.0 112.754 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -146.33 163.28 36.03 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.867 1.667 . . . . 0.0 111.48 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.89 -51.22 9.38 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 172.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 50.11 36.82 12.98 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.345 1.458 . . . . 0.0 114.487 -171.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -121.39 41.86 3.23 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.269 1.828 . . . . 0.0 112.149 -178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 54.21 37.11 26.58 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.961 1.704 . . . . 0.0 114.274 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.5 tt -120.37 -28.25 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 126.615 1.966 . . . . 0.0 112.797 -174.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -136.77 162.18 33.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.684 1.994 . . . . 0.0 109.455 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -132.27 136.36 46.89 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.404 1.482 . . . . 0.0 109.551 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -112.56 151.29 30.19 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.534 1.533 . . . . 0.0 111.655 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 t -111.0 114.43 27.73 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.271 1.028 . . . . 0.0 110.4 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 p -61.49 -8.61 4.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.84 1.656 . . . . 0.0 114.989 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -114.63 -3.22 12.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.641 1.576 . . . . 0.0 112.956 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 m -133.46 -31.06 1.24 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -172.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.68 12.43 84.49 Favored Glycine 0 CA--C 1.542 1.745 0 N-CA-C 116.224 1.249 . . . . 0.0 116.224 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 tt -103.28 156.34 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.814 1.646 . . . . 0.0 110.937 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.1 128.28 48.21 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.374 1.47 . . . . 0.0 110.326 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -126.25 151.7 72.56 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 125.328 1.451 . . . . 0.0 110.27 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.65 -75.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.842 2.361 . . . . 0.0 112.951 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mt -159.39 -50.27 0.01 OUTLIER Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.414 1.485 . . . . 0.0 113.558 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -78.02 -41.16 0.31 Allowed 'Trans proline' 0 CA--C 1.541 0.83 0 CA-C-N 121.443 1.551 . . . . 0.0 113.632 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.86 -25.42 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 121.107 -0.995 . . . . 0.0 111.75 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.57 -26.17 42.13 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.542 1.137 . . . . 0.0 112.716 171.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -57.82 -44.99 86.77 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.293 0.951 . . . . 0.0 112.547 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -63.51 -40.34 96.8 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.763 -0.585 . . . . 0.0 111.318 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -61.43 -49.49 76.64 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.172 174.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -55.78 -43.87 77.19 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.472 0.709 . . . . 0.0 112.368 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -65.11 -47.64 76.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.341 0.973 . . . . 0.0 112.988 175.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -68.38 -47.94 66.05 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.73 0.696 . . . . 0.0 111.989 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 t -61.41 -43.23 99.23 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.124 1.769 . . . . 0.0 111.009 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -62.24 -47.41 84.48 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.287 1.035 . . . . 0.0 112.403 171.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -58.49 -45.98 87.61 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.757 0.708 . . . . 0.0 111.597 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -51.84 67.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.271 1.028 . . . . 0.0 110.859 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.48 85.42 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -69.68 -41.99 74.72 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.16 0.984 . . . . 0.0 112.435 176.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.4 t -66.3 -39.55 89.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.924 1.289 . . . . 0.0 112.559 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.55 59.59 1.51 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.807 2.043 . . . . 0.0 112.464 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.27 -35.61 85.36 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.133 1.349 . . . . 0.0 114.696 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -83.49 125.74 32.06 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.385 1.074 . . . . 0.0 110.422 172.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -70.39 164.98 23.42 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.898 0.856 . . . . 0.0 113.121 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.79 176.43 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.17 1.388 . . . . 0.0 112.042 171.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -123.34 20.22 9.69 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.569 1.548 . . . . 0.0 113.063 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -148.21 171.99 15.05 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.594 1.957 . . . . 0.0 111.264 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -140.11 -36.35 0.49 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.501 1.121 . . . . 0.0 113.508 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.254 1.3 0 C-N-CA 127.711 2.404 . . . . 0.0 115.038 176.616 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 N-CA-C 112.235 -0.346 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -68.44 172.25 6.31 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.643 1.177 . . . . 0.0 112.364 169.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.7 152.3 22.97 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 121.285 -0.885 . . . . 0.0 113.137 175.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -116.93 149.06 40.77 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.188 1.395 . . . . 0.0 111.374 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.5 m -65.41 -55.05 20.19 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.35 1.06 . . . . 0.0 112.493 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -156.79 156.28 33.0 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.233 1.813 . . . . 0.0 111.13 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.4 p -83.98 162.89 50.75 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 112.165 168.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.22 -4.88 15.99 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 123.459 2.773 . . . . 0.0 114.464 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 46.79 45.97 15.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.886 2.074 . . . . 0.0 114.394 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.77 173.88 32.4 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.105 1.336 . . . . 0.0 113.324 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -139.03 91.1 2.49 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.172 1.389 . . . . 0.0 110.975 -170.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -152.63 142.5 22.1 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.767 1.227 . . . . 0.0 111.694 177.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.99 -8.21 59.23 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -17.91 45.42 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -91.36 -8.76 47.13 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -82.67 -28.73 30.43 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -37.67 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.781 0.833 . . . . 0.0 111.902 174.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.67 158.31 21.8 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.15 0.98 . . . . 0.0 112.086 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -123.12 149.04 45.02 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.926 1.69 . . . . 0.0 110.09 171.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -131.77 165.88 22.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.188 1.795 . . . . 0.0 110.911 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -134.82 115.14 13.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.466 1.106 . . . . 0.0 110.18 -172.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -62.93 -4.83 2.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.392 1.877 . . . . 0.0 115.466 -173.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -125.06 4.81 7.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.508 1.523 . . . . 0.0 113.541 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.3 m -127.47 -32.49 2.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.005 1.322 . . . . 0.0 113.468 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.72 -14.12 14.7 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.464 1.506 . . . . 0.0 116.317 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -74.35 156.66 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.591 1.556 . . . . 0.0 112.385 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.33 137.5 54.67 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.342 1.457 . . . . 0.0 110.674 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -130.22 152.49 80.23 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.92 1.688 . . . . 0.0 110.35 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -74.05 -70.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.833 2.355 . . . . 0.0 113.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -162.94 -55.84 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.921 1.288 . . . . 0.0 113.344 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.27 -33.15 3.57 Favored 'Trans proline' 0 C--N 1.355 0.875 0 CA-C-N 121.827 1.688 . . . . 0.0 113.822 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.14 -25.76 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 121.102 -0.998 . . . . 0.0 111.242 173.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.7 tp -58.16 -25.44 61.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.584 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -53.92 -44.73 70.82 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.615 1.552 . . . . 0.0 113.09 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -63.65 -40.53 97.09 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.34 0.656 . . . . 0.0 111.713 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -65.89 -43.73 87.39 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.875 -0.516 . . . . 0.0 112.045 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -48.29 80.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.737 1.215 . . . . 0.0 111.14 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.72 -36.13 82.71 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.631 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -64.95 -53.35 47.74 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.03 1.286 . . . . 0.0 112.857 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 m -59.64 -42.33 92.51 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.235 0.614 . . . . 0.0 111.212 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.74 -46.17 89.31 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.145 0.978 . . . . 0.0 112.239 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -58.51 -45.91 87.82 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.415 1.086 . . . . 0.0 112.573 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.65 -44.15 82.68 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 118.846 -0.597 . . . . 0.0 112.078 173.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.59 98.8 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.145 0.884 . . . . 0.0 113.236 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.8 p -73.83 -35.47 64.83 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.415 0.686 . . . . 0.0 112.826 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.1 m -67.83 -32.02 72.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.464 0.706 . . . . 0.0 112.81 174.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -63.53 -47.45 81.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.27 1.028 . . . . 0.0 111.365 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.09 -66.74 0.14 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 127.038 2.256 . . . . 0.0 113.662 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -77.74 76.37 4.27 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.561 1.944 . . . . 0.0 109.695 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -57.74 144.77 37.01 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.458 0.703 . . . . 0.0 111.524 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.3 m -72.93 -20.58 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 44.08 31.72 0.56 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.37 1.868 . . . . 0.0 114.476 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 41.78 60.71 2.11 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 127.276 2.231 . . . . 0.0 113.968 -170.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -62.95 -12.27 24.36 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 116.215 1.931 . . . . 0.0 116.215 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.788 2.435 . . . . 0.0 114.807 -177.073 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -119.79 50.59 1.25 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.979 1.312 . . . . 0.0 112.409 -169.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.41 139.82 58.58 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.396 1.079 . . . . 0.0 111.774 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -143.83 67.72 1.28 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.321 1.048 . . . . 0.0 110.838 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m 55.85 35.63 25.77 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.371 1.468 . . . . 0.0 112.326 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -63.35 -29.2 70.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.503 1.521 . . . . 0.0 114.365 -173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.8 t -164.59 148.13 7.65 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 126.879 2.072 . . . . 0.0 110.01 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.02 172.63 11.59 Favored 'Trans proline' 0 CA--C 1.545 1.069 0 C-N-CA 123.378 2.719 . . . . 0.0 113.377 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -139.4 140.41 37.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.46 1.504 . . . . 0.0 111.331 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.85 39.78 1.12 Allowed Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.274 1.416 . . . . 0.0 112.605 -173.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -130.19 42.15 3.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.298 1.839 . . . . 0.0 110.944 -166.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -144.56 140.08 28.57 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.653 1.581 . . . . 0.0 111.618 -171.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.23 86.33 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.074 0.95 . . . . 0.0 113.314 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.21 66.13 8.59 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.261 1.424 . . . . 0.0 111.713 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -101.0 -7.53 23.21 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.494 1.117 . . . . 0.0 113.535 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -78.49 -29.65 46.8 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.546 1.138 . . . . 0.0 113.727 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -41.21 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.038 0.935 . . . . 0.0 111.748 173.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.37 155.74 24.37 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.317 1.047 . . . . 0.0 111.289 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -118.32 134.83 54.71 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.539 1.136 . . . . 0.0 110.218 173.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -106.31 147.47 29.14 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.446 1.899 . . . . 0.0 109.966 -176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.1 t -112.95 110.56 20.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.921 1.288 . . . . 0.0 109.466 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -63.33 -3.46 1.97 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.209 1.404 . . . . 0.0 114.513 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -122.51 -6.04 8.71 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.944 1.698 . . . . 0.0 113.334 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.3 m -132.07 -28.36 1.74 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.086 1.354 . . . . 0.0 113.874 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.54 -8.62 33.26 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.545 1.545 . . . . 0.0 116.148 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.44 158.71 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.705 1.602 . . . . 0.0 112.863 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mp -127.91 128.22 44.75 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.514 1.526 . . . . 0.0 110.752 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -128.49 150.89 75.71 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 125.678 1.591 . . . . 0.0 110.324 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -72.47 -63.97 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.13 2.554 . . . . 0.0 113.481 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.3 tp -169.13 -58.8 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.703 1.601 . . . . 0.0 112.016 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.08 -38.6 3.73 Favored 'Trans proline' 0 C--N 1.354 0.84 0 CA-C-N 121.783 1.672 . . . . 0.0 113.38 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -69.02 -27.02 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.962 0.801 . . . . 0.0 111.615 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.39 -30.48 64.94 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.238 -0.913 . . . . 0.0 112.184 173.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -57.1 -39.55 75.27 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.838 1.199 . . . . 0.0 112.54 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -69.14 -44.74 71.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.574 0.75 . . . . 0.0 112.191 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -62.09 -45.81 91.86 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.847 0.749 . . . . 0.0 110.777 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -55.87 -52.41 64.14 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.006 1.323 . . . . 0.0 111.688 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.09 -38.95 93.24 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.618 1.099 . . . . 0.0 113.268 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -46.84 43.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.757 0.823 . . . . 0.0 111.872 -177.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -60.96 -45.26 95.46 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.894 2.078 . . . . 0.0 110.735 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -57.58 -51.52 69.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.47 1.108 . . . . 0.0 112.362 170.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -62.33 -44.91 95.39 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.467 0.576 . . . . 0.0 111.883 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.33 -44.54 87.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.848 0.859 . . . . 0.0 112.43 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.11 75.88 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.799 0.84 . . . . 0.0 112.822 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.4 t -67.11 -41.78 85.64 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.055 0.942 . . . . 0.0 111.974 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 t -70.31 -25.18 63.2 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.884 1.274 . . . . 0.0 113.814 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 52.89 27.57 5.63 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.474 1.909 . . . . 0.0 113.409 -173.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.18 -48.78 29.97 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.05 0.833 . . . . 0.0 114.174 -169.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -80.27 160.0 25.67 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.032 0.933 . . . . 0.0 110.874 171.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -119.79 97.76 5.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 110.369 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.5 m -69.18 160.71 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.167 1.387 . . . . 0.0 112.567 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -96.98 91.71 5.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.026 1.33 . . . . 0.0 110.798 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.8 155.37 42.31 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.956 1.302 . . . . 0.0 111.102 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -118.56 150.77 39.09 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.091 1.356 . . . . 0.0 111.748 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.254 1.322 0 C-N-CA 125.429 1.491 . . . . 0.0 112.678 -175.166 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -70.86 143.58 51.0 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 117.838 0.819 . . . . 0.0 111.728 173.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.57 -21.98 44.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.708 0.803 . . . . 0.0 112.932 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 46.23 21.42 0.11 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.847 2.059 . . . . 0.0 115.676 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 p -62.52 115.82 4.58 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.103 1.361 . . . . 0.0 111.815 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 p -152.18 167.56 28.17 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.063 1.745 . . . . 0.0 110.672 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.9 p -140.08 155.97 70.45 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 124.57 1.148 . . . . 0.0 112.348 -173.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -68.41 165.62 28.34 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.185 2.59 . . . . 0.0 113.012 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -137.27 170.42 16.11 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.274 1.83 . . . . 0.0 111.814 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.4 -166.99 30.95 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.112 0.863 . . . . 0.0 113.13 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.25 45.08 0.27 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.501 1.92 . . . . 0.0 114.13 -174.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -53.47 -42.37 67.16 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.55 1.54 . . . . 0.0 113.105 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 45.52 40.91 6.26 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 125.876 1.671 . . . . 0.0 114.855 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.44 92.06 3.11 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.014 1.326 . . . . 0.0 110.761 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -134.41 5.66 3.49 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.345 1.458 . . . . 0.0 112.304 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.55 -13.7 59.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.828 1.651 . . . . 0.0 113.466 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.14 -47.79 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.529 1.532 . . . . 0.0 111.204 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.14 140.33 58.86 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.723 0.692 . . . . 0.0 110.832 170.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -112.98 143.12 44.82 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.06 1.744 . . . . 0.0 109.347 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -129.8 121.45 26.82 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.616 1.166 . . . . 0.0 111.928 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 t -78.1 121.22 24.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.195 1.398 . . . . 0.0 111.783 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -67.33 -6.57 19.35 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -122.28 -5.56 8.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.267 1.427 . . . . 0.0 113.193 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.4 m -129.83 -24.52 2.67 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.667 1.187 . . . . 0.0 113.846 -174.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.48 -11.03 19.95 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.177 1.37 . . . . 0.0 116.338 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 tp -68.92 149.49 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.71 1.604 . . . . 0.0 112.596 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -114.54 127.15 55.65 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.649 1.58 . . . . 0.0 110.038 173.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -126.88 146.05 56.01 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.84 1.256 . . . . 0.0 110.923 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.81 -66.09 0.03 OUTLIER 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.277 2.651 . . . . 0.0 113.727 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.1 tp -169.73 -58.41 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.749 1.62 . . . . 0.0 111.852 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.95 -32.28 29.03 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.712 1.608 . . . . 0.0 112.911 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.8 mt -80.28 -29.57 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.543 1.137 . . . . 0.0 111.195 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 tp -57.39 -34.41 68.84 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.873 0.869 . . . . 0.0 112.135 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -56.01 -38.73 70.9 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.843 0.857 . . . . 0.0 112.851 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -71.49 -42.63 67.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.698 0.799 . . . . 0.0 112.418 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -63.65 -44.9 92.48 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.936 0.789 . . . . 0.0 110.803 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -56.46 -50.33 72.02 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.403 1.081 . . . . 0.0 111.994 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -65.2 -39.85 93.37 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.228 0.922 . . . . 0.0 113.135 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -67.56 -50.39 58.7 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.456 1.026 . . . . 0.0 112.468 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.24 -44.71 95.94 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.001 1.721 . . . . 0.0 110.377 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -62.6 -46.61 87.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.864 1.266 . . . . 0.0 112.892 172.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -60.45 -45.86 92.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.814 0.734 . . . . 0.0 111.683 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 tp -63.49 -45.42 90.81 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.415 0.686 . . . . 0.0 111.71 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.81 84.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 t -72.89 -41.03 65.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.261 1.024 . . . . 0.0 112.461 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -70.12 -26.0 63.75 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.476 1.51 . . . . 0.0 113.139 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 56.17 27.0 10.93 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.902 2.081 . . . . 0.0 113.253 -177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.76 -44.46 92.21 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.795 1.188 . . . . 0.0 114.573 -170.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.24 136.88 14.28 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.511 1.524 . . . . 0.0 110.028 171.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -130.92 139.94 50.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.88 1.272 . . . . 0.0 110.326 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -77.98 -18.03 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -79.49 92.62 5.29 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.459 1.504 . . . . 0.0 109.19 168.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -129.43 145.88 51.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.621 1.569 . . . . 0.0 109.414 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -141.11 172.0 13.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.313 1.445 . . . . 0.0 112.804 -166.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.255 1.343 0 C-N-CA 125.976 1.71 . . . . 0.0 111.664 -173.079 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m -75.42 65.48 1.7 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.866 1.666 . . . . 0.0 113.397 -177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -121.29 35.96 4.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.319 1.848 . . . . 0.0 111.699 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 56.06 21.01 4.72 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.399 1.88 . . . . 0.0 114.914 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.1 m -86.99 76.16 9.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.555 1.542 . . . . 0.0 110.836 -174.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.0 m -78.42 -12.17 59.99 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m 40.51 59.4 7.68 Favored Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 126.901 2.08 . . . . 0.0 114.967 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -68.29 -28.52 33.33 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.251 2.634 . . . . 0.0 114.162 -173.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -144.68 167.8 21.7 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.778 2.031 . . . . 0.0 110.857 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.89 45.5 0.22 Allowed Glycine 0 CA--C 1.536 1.357 0 C-N-CA 123.752 0.691 . . . . 0.0 114.695 -173.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.95 149.69 46.72 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.071 0.949 . . . . 0.0 113.156 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -151.85 154.39 36.08 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.023 1.329 . . . . 0.0 112.076 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -21.91 66.38 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.93 36.28 3.5 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.661 1.584 . . . . 0.0 112.053 -173.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -58.39 -16.5 14.99 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -69.56 -34.0 73.55 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -38.65 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.942 0.792 . . . . 0.0 111.122 173.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.81 164.16 3.97 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.674 0.789 . . . . 0.0 112.109 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -127.78 145.3 50.96 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.311 1.445 . . . . 0.0 109.893 169.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.92 156.73 37.5 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.371 1.869 . . . . 0.0 110.415 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -129.88 113.7 14.96 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.083 1.353 . . . . 0.0 110.36 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 m -63.64 -4.66 3.15 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.916 1.686 . . . . 0.0 114.939 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -111.37 -5.56 14.62 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.625 1.57 . . . . 0.0 112.746 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.8 m -131.48 -36.89 1.24 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.755 1.222 . . . . 0.0 113.8 -170.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.75 -9.59 59.05 Favored Glycine 0 CA--C 1.543 1.827 0 C-N-CA 125.465 1.507 . . . . 0.0 116.55 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -76.27 160.87 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.539 1.535 . . . . 0.0 112.31 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.5 133.25 51.21 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.772 1.629 . . . . 0.0 110.933 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -128.6 150.33 74.35 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 125.498 1.519 . . . . 0.0 110.702 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -70.82 -68.38 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.193 2.595 . . . . 0.0 113.651 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 tp -167.95 -56.94 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.5 1.52 . . . . 0.0 111.882 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.06 -38.4 3.94 Favored 'Trans proline' 0 C--N 1.353 0.765 0 CA-C-N 121.647 1.624 . . . . 0.0 112.856 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mt -69.58 -25.64 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.074 0.95 . . . . 0.0 111.284 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.98 -26.6 60.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.16 0.984 . . . . 0.0 112.631 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -56.29 -43.36 78.79 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.79 1.177 . . . . 0.0 112.206 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -61.02 -41.72 97.1 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.829 -0.544 . . . . 0.0 111.428 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -59.57 -50.63 73.15 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.889 -0.577 . . . . 0.0 111.357 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -57.78 -43.52 85.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.941 0.791 . . . . 0.0 112.247 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -67.05 -44.38 80.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.399 0.999 . . . . 0.0 112.787 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -50.06 50.09 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.542 -0.724 . . . . 0.0 111.652 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.46 -40.88 92.8 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.118 1.767 . . . . 0.0 110.949 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -61.07 -50.09 74.68 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.389 1.076 . . . . 0.0 112.372 171.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -60.08 -43.05 95.76 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.773 0.715 . . . . 0.0 111.894 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.93 -48.32 77.02 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.317 1.047 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.7 78.46 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 t -68.1 -42.1 80.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.173 0.989 . . . . 0.0 112.249 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.5 t -69.65 -37.84 76.9 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.047 1.339 . . . . 0.0 112.945 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -116.49 71.99 0.8 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.073 2.149 . . . . 0.0 110.832 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -52.63 112.53 2.17 Favored Glycine 0 CA--C 1.535 1.303 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 169.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -60.16 164.94 3.73 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.782 1.233 . . . . 0.0 112.464 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -62.28 117.57 6.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.568 0.747 . . . . 0.0 110.918 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.5 m -124.31 15.18 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 125.763 1.625 . . . . 0.0 112.111 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.6 mtm105 -57.25 155.03 9.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.612 1.165 . . . . 0.0 111.827 171.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -138.39 146.85 42.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.842 1.657 . . . . 0.0 109.719 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -138.32 132.0 30.91 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.739 1.216 . . . . 0.0 109.78 -173.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.254 1.34 0 C-N-CA 125.822 1.649 . . . . 0.0 111.583 -169.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -149.19 166.61 28.32 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.097 1.359 . . . . 0.0 111.025 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.59 149.69 38.43 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.537 -0.727 . . . . 0.0 111.668 167.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -64.89 160.59 20.17 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.199 1.0 . . . . 0.0 112.772 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.4 p -139.81 169.93 16.81 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.601 1.56 . . . . 0.0 111.733 -177.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 p -65.74 -20.0 66.11 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t 37.96 61.36 4.35 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 127.005 2.122 . . . . 0.0 114.687 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -67.21 127.54 16.87 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.486 2.791 . . . . 0.0 112.144 -173.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -158.88 160.97 36.74 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.905 1.682 . . . . 0.0 111.122 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.81 159.89 38.57 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 123.993 0.806 . . . . 0.0 113.739 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.31 134.12 46.53 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.897 0.879 . . . . 0.0 112.464 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -141.48 -34.95 0.47 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.833 1.253 . . . . 0.0 114.077 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 45.43 48.4 10.74 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.892 1.677 . . . . 0.0 115.05 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.62 1.22 1.84 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -176.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -59.03 -13.24 6.07 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 -171.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.29 -5.03 50.65 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.242 1.417 . . . . 0.0 114.001 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.2 tt -132.07 -31.82 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.527 1.531 . . . . 0.0 112.944 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.95 170.47 15.3 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.271 1.828 . . . . 0.0 109.924 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -130.76 144.67 51.61 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.106 1.362 . . . . 0.0 109.229 167.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.44 133.72 55.56 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.412 1.485 . . . . 0.0 110.048 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -92.94 115.46 28.15 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.347 1.059 . . . . 0.0 110.624 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.3 p -62.93 -7.03 4.41 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -128.78 2.82 5.42 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.65 1.58 . . . . 0.0 113.977 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.2 m -130.03 -28.35 2.18 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.846 1.258 . . . . 0.0 113.62 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.56 -5.62 36.17 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.3 1.429 . . . . 0.0 116.074 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -68.19 156.57 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.254 1.422 . . . . 0.0 111.773 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -123.25 126.48 47.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.52 1.528 . . . . 0.0 110.037 173.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -122.93 148.5 54.17 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.897 1.279 . . . . 0.0 110.131 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.36 -76.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.103 2.535 . . . . 0.0 112.936 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mt -161.56 -56.34 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 125.648 1.579 . . . . 0.0 112.208 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.24 -1.79 11.73 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 123.387 2.725 . . . . 0.0 114.898 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.6 mt -114.04 -25.07 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.676 1.59 . . . . 0.0 110.494 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 tp -56.31 -41.27 75.71 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.285 1.034 . . . . 0.0 112.122 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -55.03 -43.72 73.98 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -66.02 -40.75 91.33 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.028 0.831 . . . . 0.0 112.031 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -61.82 -48.37 80.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.666 0.666 . . . . 0.0 110.871 170.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -60.63 -39.42 88.18 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.224 1.01 . . . . 0.0 112.967 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -64.82 -47.36 78.29 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.356 0.98 . . . . 0.0 112.596 172.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -66.27 -46.04 78.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.645 0.778 . . . . 0.0 112.805 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.1 t -60.54 -45.21 94.7 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.355 1.862 . . . . 0.0 110.258 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -64.11 -43.13 96.28 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.214 1.006 . . . . 0.0 112.928 172.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -58.71 -49.29 78.14 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.347 0.976 . . . . 0.0 111.297 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.99 -48.72 80.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.328 0.651 . . . . 0.0 111.569 177.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.04 85.61 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -67.48 -45.21 76.55 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.483 1.113 . . . . 0.0 112.103 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 m -69.48 -29.9 67.66 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -76.53 45.98 0.42 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.188 1.795 . . . . 0.0 112.568 173.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.19 1.24 84.47 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.163 1.364 . . . . 0.0 115.022 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -149.38 119.58 7.27 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.668 1.587 . . . . 0.0 110.373 -173.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -63.22 151.54 40.13 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.988 1.315 . . . . 0.0 113.078 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -105.2 17.98 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.31 1.444 . . . . 0.0 113.557 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 52.52 34.52 15.67 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.558 1.943 . . . . 0.0 113.447 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -149.95 152.21 34.61 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.191 1.396 . . . . 0.0 111.755 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -75.99 -33.16 59.72 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.307 1.043 . . . . 0.0 113.697 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.255 1.349 0 C-N-CA 128.344 2.658 . . . . 0.0 115.054 -177.612 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -143.8 26.1 1.58 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.945 1.698 . . . . 0.0 112.212 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -83.68 0.09 48.47 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.367 1.467 . . . . 0.0 113.808 -172.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -64.32 117.82 7.79 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.044 1.337 . . . . 0.0 112.411 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.3 p -141.43 53.31 1.53 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.634 1.573 . . . . 0.0 111.82 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 m -104.77 47.8 0.86 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.544 1.538 . . . . 0.0 112.435 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 p -136.51 71.94 58.27 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 125.962 1.705 . . . . 0.0 112.191 -175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -74.33 68.16 5.19 Favored 'Trans proline' 0 CA--C 1.549 1.257 0 C-N-CA 125.123 3.882 . . . . 0.0 113.37 -175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -147.65 128.34 14.24 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.506 1.522 . . . . 0.0 111.582 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.49 -78.77 0.22 Allowed Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.892 1.234 . . . . 0.0 113.124 169.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 48.61 30.25 2.44 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.898 2.079 . . . . 0.0 115.556 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 161.59 7.81 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.107 1.763 . . . . 0.0 114.748 -176.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.07 -24.13 12.07 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.661 1.184 . . . . 0.0 113.452 173.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.53 30.37 0.63 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.875 1.67 . . . . 0.0 114.052 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -62.04 -15.61 45.86 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.69 -1.256 . . . . 0.0 114.277 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.76 -14.08 59.7 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.307 1.443 . . . . 0.0 114.028 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.92 -42.88 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.251 1.42 . . . . 0.0 111.03 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 mt -63.5 141.81 58.63 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.33 0.652 . . . . 0.0 111.077 170.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.26 125.12 28.62 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.468 1.107 . . . . 0.0 110.16 -176.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.71 139.31 32.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.125 1.37 . . . . 0.0 112.874 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -76.61 120.51 21.9 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.843 0.857 . . . . 0.0 109.903 166.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.6 p -66.79 -6.86 17.67 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -118.81 -14.06 9.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.076 1.35 . . . . 0.0 113.076 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.7 m -122.73 -22.2 5.41 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.649 1.179 . . . . 0.0 113.898 -175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.16 -15.07 9.3 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.378 1.466 . . . . 0.0 116.007 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.2 tt -67.46 148.89 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.172 1.389 . . . . 0.0 111.825 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mp -112.4 134.08 54.14 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.599 1.56 . . . . 0.0 110.064 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.24 150.21 66.45 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.923 1.289 . . . . 0.0 110.661 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.52 -63.47 0.04 OUTLIER 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.1 2.533 . . . . 0.0 113.688 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -169.06 -59.24 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 125.251 1.42 . . . . 0.0 111.913 -176.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.48 -29.04 37.99 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.223 1.949 . . . . 0.0 113.437 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 mt -86.22 -29.22 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.379 1.072 . . . . 0.0 111.367 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -44.68 90.31 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.967 0.907 . . . . 0.0 110.695 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -55.81 -48.97 74.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.308 0.643 . . . . 0.0 111.833 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -61.53 -42.89 99.49 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.879 -0.513 . . . . 0.0 112.265 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -60.52 -43.83 96.69 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.332 0.515 . . . . 0.0 111.74 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -63.99 -41.13 97.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.265 1.026 . . . . 0.0 112.671 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -63.08 -36.98 85.39 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.817 0.735 . . . . 0.0 112.153 172.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -71.39 -43.96 65.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.489 0.716 . . . . 0.0 112.032 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 m -54.83 -48.03 73.36 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.383 1.073 . . . . 0.0 111.483 169.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -56.7 -49.49 74.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.269 1.028 . . . . 0.0 112.532 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -61.98 -47.2 85.87 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.999 0.52 . . . . 0.0 111.994 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.57 -48.72 79.66 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.338 0.655 . . . . 0.0 112.173 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.47 87.41 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -72.74 -36.05 67.66 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.667 0.787 . . . . 0.0 112.63 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.4 t -69.84 -44.34 70.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.256 1.022 . . . . 0.0 112.185 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -154.63 94.43 1.68 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.578 1.551 . . . . 0.0 112.613 -176.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.57 7.56 20.22 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.136 1.351 . . . . 0.0 114.576 176.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.79 -9.37 0.54 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.216 1.807 . . . . 0.0 115.138 -175.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -120.8 38.43 4.04 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.269 1.827 . . . . 0.0 110.529 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.6 m -71.11 16.62 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 127.196 2.198 . . . . 0.0 114.415 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -130.16 137.07 49.92 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.233 2.213 . . . . 0.0 109.749 -176.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.6 p30 -130.07 -12.86 4.09 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.46 1.504 . . . . 0.0 113.723 -176.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -143.86 141.82 30.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.653 1.981 . . . . 0.0 109.308 169.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.688 1.595 . . . . 0.0 113.451 -175.361 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.426 0 N-CA-C 111.416 -0.673 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -135.52 160.91 37.0 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.533 1.533 . . . . 0.0 110.953 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -142.82 107.23 4.78 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.363 1.065 . . . . 0.0 111.28 -173.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -82.32 79.39 8.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.848 1.259 . . . . 0.0 111.643 -176.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -128.2 21.71 6.19 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.8 1.64 . . . . 0.0 112.661 -172.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 p -132.15 49.49 2.32 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.456 1.902 . . . . 0.0 112.497 -167.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m -128.74 157.3 75.76 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 126.084 1.753 . . . . 0.0 112.533 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.71 -17.12 29.75 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.586 2.857 . . . . 0.0 114.099 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -148.16 164.18 34.7 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.436 1.894 . . . . 0.0 111.196 176.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.71 153.79 16.95 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.096 0.855 . . . . 0.0 113.053 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -162.36 -179.7 7.19 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.515 1.926 . . . . 0.0 110.897 -177.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -137.81 139.21 39.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.509 1.124 . . . . 0.0 110.623 172.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.82 28.71 2.63 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.306 1.442 . . . . 0.0 112.324 -176.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.89 8.95 32.4 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.369 1.468 . . . . 0.0 113.813 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -73.8 61.21 0.75 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.613 1.965 . . . . 0.0 113.312 -176.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 53.43 28.55 7.67 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.656 1.982 . . . . 0.0 114.637 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -117.4 -27.52 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 126.368 1.867 . . . . 0.0 112.732 -175.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -138.17 161.45 36.8 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.445 1.898 . . . . 0.0 110.356 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -127.12 134.75 50.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.695 1.598 . . . . 0.0 109.734 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -107.27 145.61 32.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.459 1.504 . . . . 0.0 111.256 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.4 t -104.17 125.05 50.15 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.111 1.364 . . . . 0.0 110.555 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -64.79 -10.9 31.28 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.81 1.782 . . . . 0.0 115.81 -170.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -117.17 0.28 12.27 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.334 1.454 . . . . 0.0 113.353 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 m -128.49 -31.47 2.26 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -170.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.39 -19.28 3.11 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 125.653 1.597 . . . . 0.0 116.176 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 tp -62.97 153.07 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.465 1.506 . . . . 0.0 111.874 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.41 128.83 55.0 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.98 1.712 . . . . 0.0 109.783 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.21 146.09 48.16 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.048 1.339 . . . . 0.0 110.824 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -71.97 -69.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.064 2.509 . . . . 0.0 113.923 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.81 -56.15 0.01 OUTLIER Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.888 1.275 . . . . 0.0 112.925 -177.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -69.83 -36.11 11.22 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.71 1.607 . . . . 0.0 112.707 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.0 mt -74.47 -29.27 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.227 1.011 . . . . 0.0 110.987 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -57.52 -28.33 63.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.048 -1.032 . . . . 0.0 112.848 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -54.61 -45.83 73.74 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.814 0.845 . . . . 0.0 113.057 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -66.7 -35.56 80.41 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.497 0.589 . . . . 0.0 111.749 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -68.95 -42.26 76.91 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.381 0.673 . . . . 0.0 111.72 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -47.14 87.16 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.718 0.807 . . . . 0.0 111.492 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.78 -39.1 90.66 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -63.56 -50.42 69.56 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.154 0.888 . . . . 0.0 112.704 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.1 m -58.87 -44.6 91.14 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.865 0.757 . . . . 0.0 111.903 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -58.24 -49.86 75.6 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.614 0.766 . . . . 0.0 112.247 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -62.43 -46.7 87.37 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.923 0.489 . . . . 0.0 111.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.5 tp -65.51 -42.69 91.79 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.816 0.846 . . . . 0.0 112.4 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.78 85.38 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.724 -0.61 . . . . 0.0 112.388 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -69.84 -44.81 69.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.022 0.929 . . . . 0.0 112.734 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.4 p -71.85 -33.54 68.52 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -77.73 56.68 1.53 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.116 1.766 . . . . 0.0 111.928 173.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -52.12 90.83 0.01 OUTLIER Glycine 0 CA--C 1.538 1.472 0 C-N-CA 127.245 2.355 . . . . 0.0 114.495 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -69.83 166.66 18.92 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.034 1.734 . . . . 0.0 112.936 -175.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -123.55 14.38 9.49 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.667 1.587 . . . . 0.0 113.723 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.4 m -58.24 159.42 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.984 1.313 . . . . 0.0 113.077 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -56.99 136.83 56.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.863 1.265 . . . . 0.0 111.025 174.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -142.45 94.99 2.72 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.063 1.345 . . . . 0.0 109.999 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -148.49 145.31 27.87 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.683 1.193 . . . . 0.0 111.032 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.256 1.41 0 C-N-CA 125.675 1.59 . . . . 0.0 113.982 -175.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -137.17 152.4 49.87 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.492 1.517 . . . . 0.0 111.287 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.33 163.37 27.53 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.947 0.899 . . . . 0.0 112.917 174.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -139.47 171.7 13.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.922 1.689 . . . . 0.0 111.128 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 t -59.24 154.12 17.05 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.16 0.584 . . . . 0.0 112.212 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -145.61 120.38 9.89 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.831 1.253 . . . . 0.0 110.001 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -137.02 59.15 20.83 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 125.394 1.477 . . . . 0.0 111.408 -172.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -69.09 164.29 34.46 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.594 2.863 . . . . 0.0 113.009 -176.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -64.41 164.07 12.09 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.174 1.39 . . . . 0.0 112.379 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.92 179.1 24.13 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.25 0.929 . . . . 0.0 113.861 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.64 153.82 19.15 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.791 1.236 . . . . 0.0 113.336 176.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -137.07 124.85 22.5 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.851 1.26 . . . . 0.0 111.177 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.34 43.97 0.32 Allowed 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 126.561 1.944 . . . . 0.0 114.437 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.12 -70.06 0.76 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.175 0.99 . . . . 0.0 112.554 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.63 27.22 0.98 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.132 1.773 . . . . 0.0 115.191 -175.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -133.06 -59.55 0.88 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.158 1.383 . . . . 0.0 111.929 -177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -44.04 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.425 0.69 . . . . 0.0 111.722 174.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.53 150.54 43.66 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.515 0.726 . . . . 0.0 111.084 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -123.8 141.25 52.2 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.324 1.45 . . . . 0.0 109.305 171.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 ptt85 -120.3 157.64 28.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.88 1.272 . . . . 0.0 112.061 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 t -100.2 124.33 45.49 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.732 1.213 . . . . 0.0 109.797 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 m -65.6 -3.95 5.37 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.381 1.473 . . . . 0.0 114.371 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -121.53 -42.47 2.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.61 1.564 . . . . 0.0 111.803 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.6 m -86.44 -25.78 25.04 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -174.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.98 -17.37 7.25 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.429 1.49 . . . . 0.0 116.601 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.9 tt -64.45 158.09 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.828 1.651 . . . . 0.0 112.565 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.03 133.59 53.62 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.074 1.75 . . . . 0.0 110.505 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -129.45 152.03 78.91 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.646 1.579 . . . . 0.0 110.689 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.21 -70.08 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.03 2.487 . . . . 0.0 113.249 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.5 tp -163.02 -58.18 0.01 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.093 1.357 . . . . 0.0 112.273 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -71.57 -36.32 6.79 Favored 'Trans proline' 0 C--N 1.354 0.853 0 CA-C-N 122.146 1.802 . . . . 0.0 113.613 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.53 -24.32 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.368 -0.832 . . . . 0.0 111.932 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 tp -56.87 -27.87 61.05 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.021 -1.049 . . . . 0.0 112.427 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -54.17 -46.94 72.46 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.919 0.888 . . . . 0.0 112.466 173.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -62.15 -39.43 92.58 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.712 -0.618 . . . . 0.0 111.613 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -64.44 -45.64 86.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -59.87 -46.03 90.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 118.504 0.593 . . . . 0.0 111.581 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.49 -41.65 98.94 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.735 0.698 . . . . 0.0 112.324 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -65.95 -48.78 70.19 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.402 1.001 . . . . 0.0 112.955 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.62 -47.34 82.46 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.796 0.839 . . . . 0.0 111.193 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -63.1 -43.32 98.81 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.818 0.847 . . . . 0.0 112.78 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -62.77 -45.9 90.52 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.777 0.717 . . . . 0.0 112.023 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.06 -41.33 95.23 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.514 -0.741 . . . . 0.0 111.284 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.52 94.32 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.0 p -77.95 -27.46 49.28 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.389 0.995 . . . . 0.0 113.413 176.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -73.09 -23.75 60.57 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.204 1.402 . . . . 0.0 113.663 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -120.24 -168.76 1.68 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.467 1.907 . . . . 0.0 111.33 -176.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.34 107.51 3.4 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.769 1.176 . . . . 0.0 112.66 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -146.09 170.63 16.28 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.69 1.996 . . . . 0.0 111.885 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -69.77 84.14 0.46 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.153 1.381 . . . . 0.0 111.716 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -112.22 -166.63 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.406 1.882 . . . . 0.0 110.756 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -127.11 154.26 44.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.074 1.35 . . . . 0.0 111.138 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.21 -20.04 66.01 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -105.42 -9.52 17.48 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.686 1.594 . . . . 0.0 113.758 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.432 1.493 . . . . 0.0 112.182 -175.084 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.5 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 p -74.11 -27.56 60.93 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.0 168.47 24.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.319 1.448 . . . . 0.0 111.828 166.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -107.47 -56.54 2.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.292 1.037 . . . . 0.0 111.789 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -168.87 158.99 9.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.878 2.071 . . . . 0.0 109.914 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -155.06 83.75 1.08 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.01 1.324 . . . . 0.0 110.516 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.0 m -138.59 61.27 23.31 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 125.461 1.505 . . . . 0.0 112.017 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -65.87 159.99 46.19 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.401 2.734 . . . . 0.0 112.184 177.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -130.51 40.45 3.51 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.145 1.378 . . . . 0.0 113.013 -174.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.29 -66.53 0.58 Allowed Glycine 0 N--CA 1.469 0.888 0 C-N-CA 126.253 1.882 . . . . 0.0 111.805 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -84.53 135.95 34.01 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.338 1.055 . . . . 0.0 110.948 170.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -69.74 -48.88 57.85 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.002 0.921 . . . . 0.0 112.642 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 39.64 54.22 2.46 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.868 2.067 . . . . 0.0 114.777 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.23 33.28 1.71 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -171.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -66.09 18.29 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 126.353 1.861 . . . . 0.0 115.779 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 t0 52.3 39.75 27.81 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.424 1.889 . . . . 0.0 114.037 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.28 -44.24 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.386 1.875 . . . . 0.0 111.018 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.56 147.76 40.44 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.552 1.141 . . . . 0.0 110.9 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.4 131.74 50.25 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.206 1.402 . . . . 0.0 109.087 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -105.69 139.47 40.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 112.315 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.6 t -81.06 123.23 28.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.786 0.834 . . . . 0.0 110.422 173.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -64.53 -14.42 57.32 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -113.35 -35.97 5.13 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.572 1.149 . . . . 0.0 112.708 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.8 m -91.71 -21.8 20.55 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -174.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.01 -15.52 5.15 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.807 1.67 . . . . 0.0 116.122 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.48 153.89 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.701 1.6 . . . . 0.0 112.379 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 mp -116.58 133.71 55.69 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.934 1.694 . . . . 0.0 110.136 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -127.93 151.03 75.12 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.35 1.46 . . . . 0.0 110.303 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.91 -68.72 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.178 2.585 . . . . 0.0 113.22 -176.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.8 tp -161.39 -58.97 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.682 1.193 . . . . 0.0 113.064 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -69.21 -36.96 11.22 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 CA-C-N 121.866 1.702 . . . . 0.0 113.123 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.73 -27.95 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.547 0.739 . . . . 0.0 111.542 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.57 -43.48 84.58 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.328 -0.857 . . . . 0.0 111.235 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.92 -39.93 79.18 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.9 -42.95 94.31 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.746 -0.597 . . . . 0.0 112.096 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -60.5 -47.3 86.73 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.79 0.723 . . . . 0.0 110.833 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.74 -43.95 85.7 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.807 0.843 . . . . 0.0 112.27 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.52 -47.16 76.87 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -64.55 -46.89 80.88 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.285 0.948 . . . . 0.0 112.368 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.32 -44.22 97.01 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.449 1.5 . . . . 0.0 110.556 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.86 -45.74 92.49 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.306 1.042 . . . . 0.0 112.701 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -58.61 -48.26 81.58 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.78 0.718 . . . . 0.0 111.494 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.21 -44.14 92.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.772 0.829 . . . . 0.0 112.26 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.54 72.15 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.54 -0.725 . . . . 0.0 112.939 175.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -77.24 -46.85 21.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.371 1.068 . . . . 0.0 112.691 176.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.7 p -75.76 -27.83 58.23 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -136.41 57.72 1.76 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.973 2.109 . . . . 0.0 110.846 -176.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.93 34.23 0.39 Allowed Glycine 0 CA--C 1.542 1.722 0 C-N-CA 126.293 1.901 . . . . 0.0 116.046 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -64.44 159.99 20.17 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.102 1.761 . . . . 0.0 112.372 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -135.52 60.46 1.69 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.275 1.43 . . . . 0.0 111.245 -173.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.1 m -66.37 -10.75 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -62.9 125.26 23.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.207 1.803 . . . . 0.0 111.538 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -82.19 -58.38 2.98 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.075 0.55 . . . . 0.0 112.201 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -160.15 163.12 33.97 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.618 1.567 . . . . 0.0 111.83 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.737 1.615 . . . . 0.0 113.563 -179.751 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 CA--C 1.543 0.677 0 CA-C-O 121.216 0.531 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -126.65 143.76 51.13 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.515 1.526 . . . . 0.0 109.786 173.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -124.65 155.13 39.69 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.725 1.61 . . . . 0.0 111.817 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -113.74 117.19 30.81 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.99 1.316 . . . . 0.0 110.273 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -60.77 -14.27 20.34 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.48 1.512 . . . . 0.0 114.439 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -115.26 -2.13 12.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.128 1.371 . . . . 0.0 114.043 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.9 m -128.13 -27.45 2.73 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.66 -3.41 34.55 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.308 1.432 . . . . 0.0 116.554 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -77.38 156.24 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.526 1.531 . . . . 0.0 111.683 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.48 130.67 53.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.508 1.523 . . . . 0.0 110.691 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.07 150.86 73.24 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.53 1.532 . . . . 0.0 110.644 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.35 -67.32 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.999 2.466 . . . . 0.0 113.332 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.9 tp -166.51 -57.09 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.487 1.515 . . . . 0.0 112.414 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -72.27 -36.52 5.43 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 CA-C-N 121.992 1.747 . . . . 0.0 113.563 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.31 -25.82 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 118.864 0.757 . . . . 0.0 111.739 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.9 tp -56.24 -31.14 63.27 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.212 -0.93 . . . . 0.0 112.287 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -56.52 -43.58 79.92 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.219 0.918 . . . . 0.0 112.473 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -63.64 -41.59 98.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.995 0.518 . . . . 0.0 111.607 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -62.76 -49.19 75.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 119.177 -0.439 . . . . 0.0 111.283 174.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -54.45 -45.78 73.17 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.958 0.903 . . . . 0.0 112.05 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.95 -47.81 76.32 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.183 0.901 . . . . 0.0 113.008 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -45.72 67.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.496 0.718 . . . . 0.0 112.465 -176.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.9 t -62.92 -41.86 99.61 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.041 1.737 . . . . 0.0 110.875 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -59.89 -47.64 84.94 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.533 1.133 . . . . 0.0 112.491 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -60.64 -46.47 90.17 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.572 0.624 . . . . 0.0 111.539 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.1 mt -59.5 -50.82 72.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.52 0.728 . . . . 0.0 112.666 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.2 -36.9 81.14 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.904 0.775 . . . . 0.0 112.987 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 t -69.0 -42.86 75.89 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.459 1.103 . . . . 0.0 112.348 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 124.842 1.257 . . . . 0.0 113.311 177.553 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 mt . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 121.262 0.553 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.13 137.28 46.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.368 1.467 . . . . 0.0 109.856 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.56 154.34 24.95 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.336 1.454 . . . . 0.0 112.654 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t -104.91 118.18 35.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.373 1.469 . . . . 0.0 110.079 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -61.98 -15.81 46.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.075 1.35 . . . . 0.0 114.079 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -113.68 -4.84 13.38 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.08 1.352 . . . . 0.0 113.841 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.0 m -128.72 -25.71 2.81 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.59 -7.5 25.47 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.13 1.348 . . . . 0.0 116.173 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.7 tt -66.57 155.19 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.345 1.458 . . . . 0.0 111.948 173.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mp -120.77 131.69 54.63 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.594 1.558 . . . . 0.0 109.627 171.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.89 151.78 69.02 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.284 1.434 . . . . 0.0 110.309 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.19 -70.91 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.038 2.492 . . . . 0.0 113.214 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -167.22 -55.56 0.01 OUTLIER Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 124.92 1.288 . . . . 0.0 112.697 -177.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -70.29 -35.63 10.76 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.849 1.7 . . . . 0.0 112.677 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.4 mt -74.79 -29.36 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.376 1.07 . . . . 0.0 111.096 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.11 -35.23 69.2 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.361 -0.837 . . . . 0.0 112.231 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -57.11 -39.64 75.49 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 118.811 0.732 . . . . 0.0 112.758 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -66.94 -46.21 75.44 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.491 0.717 . . . . 0.0 111.738 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -62.52 -46.25 89.25 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.675 0.671 . . . . 0.0 110.852 175.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -56.09 -51.37 68.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.376 1.07 . . . . 0.0 111.934 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.3 -41.05 86.01 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.983 0.811 . . . . 0.0 112.963 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -48.55 63.14 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.763 0.71 . . . . 0.0 112.315 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.6 t -60.93 -46.86 89.0 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.284 1.834 . . . . 0.0 111.002 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -47.38 84.31 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.751 1.22 . . . . 0.0 112.233 172.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -61.62 -49.12 77.84 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.545 0.612 . . . . 0.0 111.934 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -44.52 96.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.774 0.829 . . . . 0.0 111.19 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -47.47 85.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.747 0.819 . . . . 0.0 112.384 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -62.98 -43.77 97.88 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.706 1.202 . . . . 0.0 112.674 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 176.147 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 120.689 0.28 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.29 136.28 49.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.271 1.428 . . . . 0.0 108.725 174.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -120.42 142.27 49.37 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.163 1.385 . . . . 0.0 112.191 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.0 t -85.54 124.08 31.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.866 0.866 . . . . 0.0 110.242 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -64.27 -15.45 60.14 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.247 1.019 . . . . 0.0 113.597 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -114.19 -30.63 6.58 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.708 1.203 . . . . 0.0 113.137 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.6 m -98.82 -22.42 15.84 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.87 -12.76 10.23 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.33 1.443 . . . . 0.0 116.559 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -67.18 154.93 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.015 1.326 . . . . 0.0 111.938 173.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.75 131.46 55.37 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.452 1.501 . . . . 0.0 109.269 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -124.93 150.02 64.91 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.108 1.363 . . . . 0.0 110.505 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -71.5 -69.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 123.162 2.575 . . . . 0.0 113.37 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.03 -54.87 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.759 1.224 . . . . 0.0 112.883 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.28 -39.01 1.24 Allowed 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.835 1.69 . . . . 0.0 112.879 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.3 mt -66.4 -29.25 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.042 0.937 . . . . 0.0 111.077 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.9 tp -55.66 -31.44 62.37 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.194 0.997 . . . . 0.0 112.633 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -56.35 -41.95 76.95 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.226 0.921 . . . . 0.0 112.315 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -64.62 -39.68 94.14 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.736 0.815 . . . . 0.0 112.059 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -64.4 -45.31 88.2 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.689 -0.632 . . . . 0.0 111.28 173.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.28 -45.29 84.24 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.083 0.856 . . . . 0.0 111.932 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.29 -40.53 77.67 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.178 0.899 . . . . 0.0 113.397 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -68.23 -49.29 61.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.956 1.253 . . . . 0.0 112.558 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -43.33 99.07 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.252 1.421 . . . . 0.0 109.952 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -59.01 -50.69 73.12 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.885 1.274 . . . . 0.0 112.609 169.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -59.5 -46.04 89.98 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.979 0.809 . . . . 0.0 111.847 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -46.39 78.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.246 0.619 . . . . 0.0 111.229 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.4 -32.41 73.24 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.2 t -75.73 -38.49 58.43 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.419 1.088 . . . . 0.0 112.19 173.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.336 1.455 . . . . 0.0 113.243 177.038 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -131.28 137.34 48.8 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.334 1.454 . . . . 0.0 109.777 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -99.11 151.54 20.85 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.774 1.23 . . . . 0.0 111.962 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.9 t -98.27 120.0 37.92 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.848 1.259 . . . . 0.0 109.91 173.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.0 p -68.2 -6.38 23.2 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.041 1.337 . . . . 0.0 114.556 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -121.17 -5.58 9.45 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.454 1.501 . . . . 0.0 113.315 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.9 m -130.2 -25.78 2.43 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.823 1.249 . . . . 0.0 113.757 -173.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.24 -8.1 33.94 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.079 1.323 . . . . 0.0 116.147 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.2 tt -68.57 155.39 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.386 1.474 . . . . 0.0 111.972 173.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mp -123.11 130.52 52.88 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.656 1.582 . . . . 0.0 110.176 172.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.73 151.98 76.26 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.561 1.544 . . . . 0.0 110.115 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.11 -69.29 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 122.793 2.329 . . . . 0.0 113.689 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.75 -56.36 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.958 1.303 . . . . 0.0 112.623 -176.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.44 -37.08 1.47 Allowed 'Trans proline' 0 C--N 1.355 0.905 0 CA-C-N 121.657 1.628 . . . . 0.0 113.612 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -69.35 -26.79 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 121.012 -1.055 . . . . 0.0 111.177 174.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.6 tp -57.49 -29.63 64.45 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 118.124 -0.941 . . . . 0.0 112.418 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -59.5 -39.4 83.66 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 120.343 1.429 . . . . 0.0 112.611 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.32 -45.7 79.39 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.242 0.617 . . . . 0.0 111.48 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -63.35 -45.64 90.27 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 118.395 0.543 . . . . 0.0 110.855 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -56.34 -49.96 72.87 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.529 1.132 . . . . 0.0 112.032 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.06 -41.07 95.47 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.601 1.091 . . . . 0.0 112.944 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -71.43 -48.43 49.61 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.592 0.757 . . . . 0.0 111.716 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.61 -44.56 96.15 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.701 2.001 . . . . 0.0 111.07 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -48.78 79.77 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.596 1.159 . . . . 0.0 112.312 172.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -62.84 -41.9 99.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.491 0.587 . . . . 0.0 112.247 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.31 -48.3 80.46 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.521 -0.737 . . . . 0.0 111.445 171.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.47 77.32 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.58 1.082 . . . . 0.0 113.597 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.4 p -76.23 -31.12 58.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.476 0.866 0 C-N-CA 124.573 1.149 . . . . 0.0 114.019 175.921 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 mt . . . . . 0 CA--C 1.542 0.66 0 CA-C-O 121.994 0.902 . . . . 0.0 112.928 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -131.68 148.76 52.61 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.33 1.852 . . . . 0.0 109.586 171.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -127.9 140.17 52.17 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.83 1.252 . . . . 0.0 111.405 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -79.59 116.66 19.92 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 122.873 0.469 . . . . 0.0 110.036 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 t -64.05 -8.87 13.17 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.398 1.079 . . . . 0.0 113.628 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -116.72 -16.41 10.67 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.067 1.347 . . . . 0.0 113.388 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.6 m -121.33 -18.53 7.31 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.578 1.151 . . . . 0.0 114.038 -175.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.54 -13.61 8.0 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.261 1.41 . . . . 0.0 116.228 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 tt -64.56 156.02 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.483 1.513 . . . . 0.0 112.304 174.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.95 135.27 53.55 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.531 1.532 . . . . 0.0 110.689 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -128.95 153.23 80.16 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.818 1.647 . . . . 0.0 110.282 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.73 -72.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.014 2.476 . . . . 0.0 112.948 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mt -159.27 -54.39 0.01 OUTLIER Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.607 1.163 . . . . 0.0 113.628 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -75.67 -38.38 1.35 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 CA-C-N 121.783 1.673 . . . . 0.0 113.499 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.27 -25.64 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.283 -0.886 . . . . 0.0 111.64 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.0 tp -54.9 -35.17 63.85 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.207 -0.933 . . . . 0.0 112.287 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.85 -38.89 79.74 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.7 0.8 . . . . 0.0 112.727 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.35 -44.1 84.19 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.634 0.773 . . . . 0.0 111.542 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.65 -47.82 79.74 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.464 0.575 . . . . 0.0 110.882 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -52.66 -54.06 38.66 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.16 0.984 . . . . 0.0 112.217 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.37 -39.41 94.45 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.75 1.159 . . . . 0.0 113.277 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -73.12 -46.91 48.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.652 0.66 . . . . 0.0 111.603 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.9 t -61.39 -44.56 96.94 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.982 1.713 . . . . 0.0 111.056 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -61.65 -48.08 82.45 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.376 1.07 . . . . 0.0 112.499 172.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -60.43 -45.39 93.8 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.598 0.636 . . . . 0.0 112.07 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.41 -49.94 71.8 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.424 1.09 . . . . 0.0 111.161 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.56 87.87 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.8 t -66.99 -42.15 85.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.142 0.977 . . . . 0.0 112.246 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.474 0.748 0 C-N-CA 124.207 1.003 . . . . 0.0 113.053 177.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -132.27 136.36 46.89 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.404 1.482 . . . . 0.0 109.551 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -112.56 151.29 30.19 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.534 1.533 . . . . 0.0 111.655 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 t -111.0 114.43 27.73 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.271 1.028 . . . . 0.0 110.4 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 p -61.49 -8.61 4.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.84 1.656 . . . . 0.0 114.989 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -114.63 -3.22 12.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.641 1.576 . . . . 0.0 112.956 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 m -133.46 -31.06 1.24 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -172.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.68 12.43 84.49 Favored Glycine 0 CA--C 1.542 1.745 0 N-CA-C 116.224 1.249 . . . . 0.0 116.224 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 tt -103.28 156.34 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.814 1.646 . . . . 0.0 110.937 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.1 128.28 48.21 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.374 1.47 . . . . 0.0 110.326 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -126.25 151.7 72.56 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 125.328 1.451 . . . . 0.0 110.27 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.65 -75.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.842 2.361 . . . . 0.0 112.951 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mt -159.39 -50.27 0.01 OUTLIER Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.414 1.485 . . . . 0.0 113.558 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -78.02 -41.16 0.31 Allowed 'Trans proline' 0 CA--C 1.541 0.83 0 CA-C-N 121.443 1.551 . . . . 0.0 113.632 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.86 -25.42 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 121.107 -0.995 . . . . 0.0 111.75 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.57 -26.17 42.13 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.542 1.137 . . . . 0.0 112.716 171.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -57.82 -44.99 86.77 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.293 0.951 . . . . 0.0 112.547 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -63.51 -40.34 96.8 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.763 -0.585 . . . . 0.0 111.318 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -61.43 -49.49 76.64 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.172 174.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -55.78 -43.87 77.19 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.472 0.709 . . . . 0.0 112.368 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -65.11 -47.64 76.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.341 0.973 . . . . 0.0 112.988 175.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -68.38 -47.94 66.05 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.73 0.696 . . . . 0.0 111.989 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 t -61.41 -43.23 99.23 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.124 1.769 . . . . 0.0 111.009 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -62.24 -47.41 84.48 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.287 1.035 . . . . 0.0 112.403 171.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -58.49 -45.98 87.61 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.757 0.708 . . . . 0.0 111.597 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -51.84 67.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.271 1.028 . . . . 0.0 110.859 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.48 85.42 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -69.68 -41.99 74.72 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.16 0.984 . . . . 0.0 112.435 176.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 124.924 1.289 . . . . 0.0 112.559 176.757 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 121.643 0.735 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -123.12 149.04 45.02 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.926 1.69 . . . . 0.0 110.09 171.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -131.77 165.88 22.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.188 1.795 . . . . 0.0 110.911 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -134.82 115.14 13.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.466 1.106 . . . . 0.0 110.18 -172.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -62.93 -4.83 2.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.392 1.877 . . . . 0.0 115.466 -173.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -125.06 4.81 7.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.508 1.523 . . . . 0.0 113.541 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' HG ' ' HE2' ' A' ' 36' ' ' HIS . 33.3 m -127.47 -32.49 2.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.005 1.322 . . . . 0.0 113.468 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.72 -14.12 14.7 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.464 1.506 . . . . 0.0 116.317 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -74.35 156.66 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.591 1.556 . . . . 0.0 112.385 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.33 137.5 54.67 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.342 1.457 . . . . 0.0 110.674 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -130.22 152.49 80.23 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.92 1.688 . . . . 0.0 110.35 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -74.05 -70.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.833 2.355 . . . . 0.0 113.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -162.94 -55.84 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.921 1.288 . . . . 0.0 113.344 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.27 -33.15 3.57 Favored 'Trans proline' 0 C--N 1.355 0.875 0 CA-C-N 121.827 1.688 . . . . 0.0 113.822 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.14 -25.76 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 121.102 -0.998 . . . . 0.0 111.242 173.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.7 tp -58.16 -25.44 61.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.584 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -53.92 -44.73 70.82 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.615 1.552 . . . . 0.0 113.09 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -63.65 -40.53 97.09 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.34 0.656 . . . . 0.0 111.713 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.409 ' HE2' ' HG ' ' A' ' 24' ' ' CYS . 10.0 t60 -65.89 -43.73 87.39 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.875 -0.516 . . . . 0.0 112.045 176.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -48.29 80.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.737 1.215 . . . . 0.0 111.14 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.72 -36.13 82.71 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.631 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -64.95 -53.35 47.74 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.03 1.286 . . . . 0.0 112.857 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 m -59.64 -42.33 92.51 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.235 0.614 . . . . 0.0 111.212 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.74 -46.17 89.31 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.145 0.978 . . . . 0.0 112.239 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -58.51 -45.91 87.82 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.415 1.086 . . . . 0.0 112.573 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.65 -44.15 82.68 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 118.846 -0.597 . . . . 0.0 112.078 173.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.59 98.8 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.145 0.884 . . . . 0.0 113.236 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.8 p -73.83 -35.47 64.83 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.415 0.686 . . . . 0.0 112.826 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.476 0.838 0 C-N-CA 123.464 0.706 . . . . 0.0 112.81 174.359 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 CA--C 1.542 0.66 0 CA-C-O 121.038 0.447 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -118.32 134.83 54.71 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.539 1.136 . . . . 0.0 110.218 173.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -106.31 147.47 29.14 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.446 1.899 . . . . 0.0 109.966 -176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.1 t -112.95 110.56 20.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.921 1.288 . . . . 0.0 109.466 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -63.33 -3.46 1.97 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.209 1.404 . . . . 0.0 114.513 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -122.51 -6.04 8.71 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.944 1.698 . . . . 0.0 113.334 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.3 m -132.07 -28.36 1.74 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.086 1.354 . . . . 0.0 113.874 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.54 -8.62 33.26 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.545 1.545 . . . . 0.0 116.148 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.44 158.71 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.705 1.602 . . . . 0.0 112.863 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mp -127.91 128.22 44.75 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.514 1.526 . . . . 0.0 110.752 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -128.49 150.89 75.71 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 125.678 1.591 . . . . 0.0 110.324 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -72.47 -63.97 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.13 2.554 . . . . 0.0 113.481 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.3 tp -169.13 -58.8 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.703 1.601 . . . . 0.0 112.016 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.08 -38.6 3.73 Favored 'Trans proline' 0 C--N 1.354 0.84 0 CA-C-N 121.783 1.672 . . . . 0.0 113.38 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -69.02 -27.02 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.962 0.801 . . . . 0.0 111.615 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.39 -30.48 64.94 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.238 -0.913 . . . . 0.0 112.184 173.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -57.1 -39.55 75.27 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.838 1.199 . . . . 0.0 112.54 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -69.14 -44.74 71.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.574 0.75 . . . . 0.0 112.191 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -62.09 -45.81 91.86 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.847 0.749 . . . . 0.0 110.777 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -55.87 -52.41 64.14 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.006 1.323 . . . . 0.0 111.688 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.09 -38.95 93.24 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.618 1.099 . . . . 0.0 113.268 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -46.84 43.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.757 0.823 . . . . 0.0 111.872 -177.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -60.96 -45.26 95.46 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.894 2.078 . . . . 0.0 110.735 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -57.58 -51.52 69.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.47 1.108 . . . . 0.0 112.362 170.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -62.33 -44.91 95.39 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.467 0.576 . . . . 0.0 111.883 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.33 -44.54 87.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.848 0.859 . . . . 0.0 112.43 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.11 75.88 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.799 0.84 . . . . 0.0 112.822 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.4 t -67.11 -41.78 85.64 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.055 0.942 . . . . 0.0 111.974 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 124.884 1.274 . . . . 0.0 113.814 176.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 CA--C 1.543 0.701 0 CA-C-O 120.542 0.211 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -112.98 143.12 44.82 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.06 1.744 . . . . 0.0 109.347 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -129.8 121.45 26.82 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.616 1.166 . . . . 0.0 111.928 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 t -78.1 121.22 24.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.195 1.398 . . . . 0.0 111.783 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -67.33 -6.57 19.35 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -122.28 -5.56 8.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.267 1.427 . . . . 0.0 113.193 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.4 m -129.83 -24.52 2.67 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.667 1.187 . . . . 0.0 113.846 -174.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.48 -11.03 19.95 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.177 1.37 . . . . 0.0 116.338 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 tp -68.92 149.49 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.71 1.604 . . . . 0.0 112.596 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -114.54 127.15 55.65 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.649 1.58 . . . . 0.0 110.038 173.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -126.88 146.05 56.01 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.84 1.256 . . . . 0.0 110.923 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.81 -66.09 0.03 OUTLIER 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.277 2.651 . . . . 0.0 113.727 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.1 tp -169.73 -58.41 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.749 1.62 . . . . 0.0 111.852 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.95 -32.28 29.03 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.712 1.608 . . . . 0.0 112.911 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.8 mt -80.28 -29.57 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.543 1.137 . . . . 0.0 111.195 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 tp -57.39 -34.41 68.84 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.873 0.869 . . . . 0.0 112.135 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -56.01 -38.73 70.9 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.843 0.857 . . . . 0.0 112.851 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -71.49 -42.63 67.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.698 0.799 . . . . 0.0 112.418 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -63.65 -44.9 92.48 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.936 0.789 . . . . 0.0 110.803 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -56.46 -50.33 72.02 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.403 1.081 . . . . 0.0 111.994 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -65.2 -39.85 93.37 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.228 0.922 . . . . 0.0 113.135 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -67.56 -50.39 58.7 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.456 1.026 . . . . 0.0 112.468 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.24 -44.71 95.94 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.001 1.721 . . . . 0.0 110.377 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -62.6 -46.61 87.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.864 1.266 . . . . 0.0 112.892 172.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -60.45 -45.86 92.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.814 0.734 . . . . 0.0 111.683 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 tp -63.49 -45.42 90.81 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.415 0.686 . . . . 0.0 111.71 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.81 84.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 t -72.89 -41.03 65.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.261 1.024 . . . . 0.0 112.461 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.472 0.644 0 C-N-CA 125.476 1.51 . . . . 0.0 113.139 176.857 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.1 mt . . . . . 0 CA--C 1.546 0.805 0 CA-C-O 121.706 0.765 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -127.78 145.3 50.96 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.311 1.445 . . . . 0.0 109.893 169.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.92 156.73 37.5 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.371 1.869 . . . . 0.0 110.415 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -129.88 113.7 14.96 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.083 1.353 . . . . 0.0 110.36 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 m -63.64 -4.66 3.15 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.916 1.686 . . . . 0.0 114.939 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -111.37 -5.56 14.62 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.625 1.57 . . . . 0.0 112.746 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.8 m -131.48 -36.89 1.24 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.755 1.222 . . . . 0.0 113.8 -170.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.75 -9.59 59.05 Favored Glycine 0 CA--C 1.543 1.827 0 C-N-CA 125.465 1.507 . . . . 0.0 116.55 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -76.27 160.87 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.539 1.535 . . . . 0.0 112.31 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.5 133.25 51.21 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.772 1.629 . . . . 0.0 110.933 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -128.6 150.33 74.35 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 125.498 1.519 . . . . 0.0 110.702 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -70.82 -68.38 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.193 2.595 . . . . 0.0 113.651 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 tp -167.95 -56.94 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.5 1.52 . . . . 0.0 111.882 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.06 -38.4 3.94 Favored 'Trans proline' 0 C--N 1.353 0.765 0 CA-C-N 121.647 1.624 . . . . 0.0 112.856 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mt -69.58 -25.64 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.074 0.95 . . . . 0.0 111.284 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.98 -26.6 60.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.16 0.984 . . . . 0.0 112.631 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -56.29 -43.36 78.79 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.79 1.177 . . . . 0.0 112.206 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -61.02 -41.72 97.1 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.829 -0.544 . . . . 0.0 111.428 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -59.57 -50.63 73.15 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.889 -0.577 . . . . 0.0 111.357 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -57.78 -43.52 85.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.941 0.791 . . . . 0.0 112.247 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -67.05 -44.38 80.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.399 0.999 . . . . 0.0 112.787 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -50.06 50.09 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.542 -0.724 . . . . 0.0 111.652 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.46 -40.88 92.8 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.118 1.767 . . . . 0.0 110.949 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -61.07 -50.09 74.68 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.389 1.076 . . . . 0.0 112.372 171.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -60.08 -43.05 95.76 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.773 0.715 . . . . 0.0 111.894 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.93 -48.32 77.02 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.317 1.047 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.7 78.46 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 t -68.1 -42.1 80.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.173 0.989 . . . . 0.0 112.249 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.047 1.339 . . . . 0.0 112.945 175.48 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 121.123 0.487 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -130.76 144.67 51.61 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.106 1.362 . . . . 0.0 109.229 167.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.44 133.72 55.56 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.412 1.485 . . . . 0.0 110.048 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -92.94 115.46 28.15 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.347 1.059 . . . . 0.0 110.624 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.3 p -62.93 -7.03 4.41 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -128.78 2.82 5.42 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.65 1.58 . . . . 0.0 113.977 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.2 m -130.03 -28.35 2.18 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.846 1.258 . . . . 0.0 113.62 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.56 -5.62 36.17 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.3 1.429 . . . . 0.0 116.074 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -68.19 156.57 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.254 1.422 . . . . 0.0 111.773 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -123.25 126.48 47.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.52 1.528 . . . . 0.0 110.037 173.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -122.93 148.5 54.17 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.897 1.279 . . . . 0.0 110.131 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.36 -76.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.103 2.535 . . . . 0.0 112.936 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mt -161.56 -56.34 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 125.648 1.579 . . . . 0.0 112.208 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.24 -1.79 11.73 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 123.387 2.725 . . . . 0.0 114.898 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.6 mt -114.04 -25.07 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.676 1.59 . . . . 0.0 110.494 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 tp -56.31 -41.27 75.71 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.285 1.034 . . . . 0.0 112.122 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -55.03 -43.72 73.98 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -66.02 -40.75 91.33 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.028 0.831 . . . . 0.0 112.031 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -61.82 -48.37 80.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.666 0.666 . . . . 0.0 110.871 170.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -60.63 -39.42 88.18 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.224 1.01 . . . . 0.0 112.967 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -64.82 -47.36 78.29 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.356 0.98 . . . . 0.0 112.596 172.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -66.27 -46.04 78.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.645 0.778 . . . . 0.0 112.805 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.1 t -60.54 -45.21 94.7 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.355 1.862 . . . . 0.0 110.258 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -64.11 -43.13 96.28 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.214 1.006 . . . . 0.0 112.928 172.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -58.71 -49.29 78.14 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.347 0.976 . . . . 0.0 111.297 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.99 -48.72 80.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.328 0.651 . . . . 0.0 111.569 177.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.04 85.61 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -67.48 -45.21 76.55 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.483 1.113 . . . . 0.0 112.103 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 176.409 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 CA--C 1.543 0.689 0 CA-C-O 120.357 0.122 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.26 125.12 28.62 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.468 1.107 . . . . 0.0 110.16 -176.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.71 139.31 32.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.125 1.37 . . . . 0.0 112.874 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -76.61 120.51 21.9 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.843 0.857 . . . . 0.0 109.903 166.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.6 p -66.79 -6.86 17.67 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -118.81 -14.06 9.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.076 1.35 . . . . 0.0 113.076 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.456 ' HG ' ' HE2' ' A' ' 36' ' ' HIS . 24.7 m -122.73 -22.2 5.41 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.649 1.179 . . . . 0.0 113.898 -175.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.16 -15.07 9.3 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.378 1.466 . . . . 0.0 116.007 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.2 tt -67.46 148.89 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.172 1.389 . . . . 0.0 111.825 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mp -112.4 134.08 54.14 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.599 1.56 . . . . 0.0 110.064 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.24 150.21 66.45 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.923 1.289 . . . . 0.0 110.661 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.52 -63.47 0.04 OUTLIER 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.1 2.533 . . . . 0.0 113.688 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -169.06 -59.24 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 125.251 1.42 . . . . 0.0 111.913 -176.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.48 -29.04 37.99 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.223 1.949 . . . . 0.0 113.437 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 mt -86.22 -29.22 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.379 1.072 . . . . 0.0 111.367 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -44.68 90.31 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.967 0.907 . . . . 0.0 110.695 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -55.81 -48.97 74.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.308 0.643 . . . . 0.0 111.833 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -61.53 -42.89 99.49 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.879 -0.513 . . . . 0.0 112.265 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.456 ' HE2' ' HG ' ' A' ' 24' ' ' CYS . 50.1 t60 -60.52 -43.83 96.69 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.332 0.515 . . . . 0.0 111.74 174.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -63.99 -41.13 97.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.265 1.026 . . . . 0.0 112.671 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -63.08 -36.98 85.39 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.817 0.735 . . . . 0.0 112.153 172.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -71.39 -43.96 65.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.489 0.716 . . . . 0.0 112.032 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 m -54.83 -48.03 73.36 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.383 1.073 . . . . 0.0 111.483 169.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -56.7 -49.49 74.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.269 1.028 . . . . 0.0 112.532 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -61.98 -47.2 85.87 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.999 0.52 . . . . 0.0 111.994 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.57 -48.72 79.66 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.338 0.655 . . . . 0.0 112.173 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.47 87.41 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -72.74 -36.05 67.66 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.667 0.787 . . . . 0.0 112.63 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 124.256 1.022 . . . . 0.0 112.185 175.081 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -127.12 134.75 50.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.695 1.598 . . . . 0.0 109.734 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -107.27 145.61 32.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.459 1.504 . . . . 0.0 111.256 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.4 t -104.17 125.05 50.15 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.111 1.364 . . . . 0.0 110.555 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -64.79 -10.9 31.28 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.81 1.782 . . . . 0.0 115.81 -170.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -117.17 0.28 12.27 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.334 1.454 . . . . 0.0 113.353 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 m -128.49 -31.47 2.26 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -170.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.39 -19.28 3.11 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 125.653 1.597 . . . . 0.0 116.176 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 tp -62.97 153.07 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.465 1.506 . . . . 0.0 111.874 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.41 128.83 55.0 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.98 1.712 . . . . 0.0 109.783 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.21 146.09 48.16 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.048 1.339 . . . . 0.0 110.824 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -71.97 -69.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.064 2.509 . . . . 0.0 113.923 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.81 -56.15 0.01 OUTLIER Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.888 1.275 . . . . 0.0 112.925 -177.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -69.83 -36.11 11.22 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.71 1.607 . . . . 0.0 112.707 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.0 mt -74.47 -29.27 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.227 1.011 . . . . 0.0 110.987 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -57.52 -28.33 63.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.048 -1.032 . . . . 0.0 112.848 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -54.61 -45.83 73.74 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.814 0.845 . . . . 0.0 113.057 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -66.7 -35.56 80.41 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.497 0.589 . . . . 0.0 111.749 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -68.95 -42.26 76.91 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.381 0.673 . . . . 0.0 111.72 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -47.14 87.16 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.718 0.807 . . . . 0.0 111.492 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.78 -39.1 90.66 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -63.56 -50.42 69.56 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.154 0.888 . . . . 0.0 112.704 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.1 m -58.87 -44.6 91.14 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.865 0.757 . . . . 0.0 111.903 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -58.24 -49.86 75.6 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.614 0.766 . . . . 0.0 112.247 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -62.43 -46.7 87.37 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.923 0.489 . . . . 0.0 111.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.5 tp -65.51 -42.69 91.79 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.816 0.846 . . . . 0.0 112.4 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.78 85.38 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.724 -0.61 . . . . 0.0 112.388 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -69.84 -44.81 69.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.022 0.929 . . . . 0.0 112.734 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 121.051 0.453 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -123.8 141.25 52.2 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.324 1.45 . . . . 0.0 109.305 171.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 ptt85 -120.3 157.64 28.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.88 1.272 . . . . 0.0 112.061 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 t -100.2 124.33 45.49 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.732 1.213 . . . . 0.0 109.797 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 m -65.6 -3.95 5.37 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.381 1.473 . . . . 0.0 114.371 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -121.53 -42.47 2.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.61 1.564 . . . . 0.0 111.803 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.6 m -86.44 -25.78 25.04 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -174.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.98 -17.37 7.25 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.429 1.49 . . . . 0.0 116.601 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.9 tt -64.45 158.09 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.828 1.651 . . . . 0.0 112.565 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.03 133.59 53.62 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.074 1.75 . . . . 0.0 110.505 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -129.45 152.03 78.91 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.646 1.579 . . . . 0.0 110.689 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.21 -70.08 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.03 2.487 . . . . 0.0 113.249 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.5 tp -163.02 -58.18 0.01 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.093 1.357 . . . . 0.0 112.273 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -71.57 -36.32 6.79 Favored 'Trans proline' 0 C--N 1.354 0.853 0 CA-C-N 122.146 1.802 . . . . 0.0 113.613 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.53 -24.32 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.368 -0.832 . . . . 0.0 111.932 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 tp -56.87 -27.87 61.05 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.021 -1.049 . . . . 0.0 112.427 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -54.17 -46.94 72.46 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.919 0.888 . . . . 0.0 112.466 173.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -62.15 -39.43 92.58 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.712 -0.618 . . . . 0.0 111.613 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -64.44 -45.64 86.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -59.87 -46.03 90.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 118.504 0.593 . . . . 0.0 111.581 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.49 -41.65 98.94 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.735 0.698 . . . . 0.0 112.324 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -65.95 -48.78 70.19 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.402 1.001 . . . . 0.0 112.955 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.62 -47.34 82.46 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.796 0.839 . . . . 0.0 111.193 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -63.1 -43.32 98.81 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.818 0.847 . . . . 0.0 112.78 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -62.77 -45.9 90.52 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.777 0.717 . . . . 0.0 112.023 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.06 -41.33 95.23 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.514 -0.741 . . . . 0.0 111.284 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.52 94.32 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.0 p -77.95 -27.46 49.28 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.389 0.995 . . . . 0.0 113.413 176.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.475 0.817 0 C-N-CA 125.204 1.402 . . . . 0.0 113.663 173.763 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.724 0.297 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.4 131.74 50.25 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.206 1.402 . . . . 0.0 109.087 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -105.69 139.47 40.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 112.315 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.6 t -81.06 123.23 28.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.786 0.834 . . . . 0.0 110.422 173.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -64.53 -14.42 57.32 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -113.35 -35.97 5.13 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.572 1.149 . . . . 0.0 112.708 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.8 m -91.71 -21.8 20.55 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -174.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.01 -15.52 5.15 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.807 1.67 . . . . 0.0 116.122 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.48 153.89 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.701 1.6 . . . . 0.0 112.379 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 mp -116.58 133.71 55.69 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.934 1.694 . . . . 0.0 110.136 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -127.93 151.03 75.12 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.35 1.46 . . . . 0.0 110.303 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.91 -68.72 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.178 2.585 . . . . 0.0 113.22 -176.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.8 tp -161.39 -58.97 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.682 1.193 . . . . 0.0 113.064 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -69.21 -36.96 11.22 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 CA-C-N 121.866 1.702 . . . . 0.0 113.123 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.73 -27.95 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.547 0.739 . . . . 0.0 111.542 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.57 -43.48 84.58 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.328 -0.857 . . . . 0.0 111.235 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.92 -39.93 79.18 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.9 -42.95 94.31 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.746 -0.597 . . . . 0.0 112.096 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -60.5 -47.3 86.73 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.79 0.723 . . . . 0.0 110.833 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.74 -43.95 85.7 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.807 0.843 . . . . 0.0 112.27 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.52 -47.16 76.87 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -64.55 -46.89 80.88 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.285 0.948 . . . . 0.0 112.368 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.32 -44.22 97.01 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.449 1.5 . . . . 0.0 110.556 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.86 -45.74 92.49 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.306 1.042 . . . . 0.0 112.701 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -58.61 -48.26 81.58 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.78 0.718 . . . . 0.0 111.494 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.21 -44.14 92.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.772 0.829 . . . . 0.0 112.26 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.54 72.15 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.54 -0.725 . . . . 0.0 112.939 175.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -77.24 -46.85 21.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.371 1.068 . . . . 0.0 112.691 176.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -178.127 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.5 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -130.9 28.89 4.79 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.666 1.586 . . . . 0.0 111.908 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.54 174.84 1.58 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.909 1.683 . . . . 0.0 113.775 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -130.49 179.72 5.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.996 1.718 . . . . 0.0 111.171 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m 57.78 41.71 24.59 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.832 1.253 . . . . 0.0 112.483 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -129.1 15.24 6.25 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.918 1.687 . . . . 0.0 113.504 -172.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -119.08 156.09 52.66 Favored Pre-proline 0 N--CA 1.472 0.669 0 C-N-CA 126.635 1.974 . . . . 0.0 112.116 -174.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.01 127.74 15.65 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.915 2.41 . . . . 0.0 111.376 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -155.15 166.32 33.93 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.883 1.673 . . . . 0.0 110.476 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.6 156.47 27.07 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 123.679 0.657 . . . . 0.0 113.947 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -111.58 131.37 55.3 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.858 1.263 . . . . 0.0 111.181 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -154.06 168.23 27.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.223 1.809 . . . . 0.0 110.227 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.18 21.89 8.75 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.595 1.558 . . . . 0.0 112.979 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.16 12.45 3.9 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.751 1.62 . . . . 0.0 113.561 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -68.19 -7.64 31.94 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.719 -1.238 . . . . 0.0 114.083 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -86.05 -30.73 22.4 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.883 1.673 . . . . 0.0 114.025 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -42.09 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 118.955 0.798 . . . . 0.0 111.169 174.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.23 154.25 28.08 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.42 0.688 . . . . 0.0 111.548 173.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -126.65 143.76 51.13 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.515 1.526 . . . . 0.0 109.786 173.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -124.65 155.13 39.69 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.725 1.61 . . . . 0.0 111.817 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -113.74 117.19 30.81 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.99 1.316 . . . . 0.0 110.273 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -60.77 -14.27 20.34 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.48 1.512 . . . . 0.0 114.439 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -115.26 -2.13 12.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.128 1.371 . . . . 0.0 114.043 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.9 m -128.13 -27.45 2.73 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.66 -3.41 34.55 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.308 1.432 . . . . 0.0 116.554 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -77.38 156.24 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.526 1.531 . . . . 0.0 111.683 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.48 130.67 53.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.508 1.523 . . . . 0.0 110.691 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.07 150.86 73.24 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.53 1.532 . . . . 0.0 110.644 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.35 -67.32 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.999 2.466 . . . . 0.0 113.332 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.9 tp -166.51 -57.09 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.487 1.515 . . . . 0.0 112.414 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -72.27 -36.52 5.43 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 CA-C-N 121.992 1.747 . . . . 0.0 113.563 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.31 -25.82 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 118.864 0.757 . . . . 0.0 111.739 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.9 tp -56.24 -31.14 63.27 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.212 -0.93 . . . . 0.0 112.287 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -56.52 -43.58 79.92 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.219 0.918 . . . . 0.0 112.473 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -63.64 -41.59 98.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.995 0.518 . . . . 0.0 111.607 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -62.76 -49.19 75.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 119.177 -0.439 . . . . 0.0 111.283 174.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -54.45 -45.78 73.17 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.958 0.903 . . . . 0.0 112.05 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.95 -47.81 76.32 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.183 0.901 . . . . 0.0 113.008 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -45.72 67.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.496 0.718 . . . . 0.0 112.465 -176.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.9 t -62.92 -41.86 99.61 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.041 1.737 . . . . 0.0 110.875 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -59.89 -47.64 84.94 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.533 1.133 . . . . 0.0 112.491 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -60.64 -46.47 90.17 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.572 0.624 . . . . 0.0 111.539 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.1 mt -59.5 -50.82 72.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.52 0.728 . . . . 0.0 112.666 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.2 -36.9 81.14 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.904 0.775 . . . . 0.0 112.987 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 t -69.0 -42.86 75.89 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.459 1.103 . . . . 0.0 112.348 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -67.69 -33.53 75.09 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.842 1.257 . . . . 0.0 113.311 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -75.22 59.95 1.04 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.041 2.136 . . . . 0.0 112.647 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -121.06 81.98 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 126.492 1.996 . . . . 0.0 111.902 -175.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.31 157.21 32.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.82 1.648 . . . . 0.0 111.986 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 52.18 25.51 3.35 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 125.909 1.684 . . . . 0.0 113.8 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.68 143.96 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.528 1.131 . . . . 0.0 111.864 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -157.75 120.77 3.93 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.818 1.247 . . . . 0.0 110.94 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -157.06 128.22 6.83 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.191 1.396 . . . . 0.0 111.147 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -155.25 163.04 40.71 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.466 1.906 . . . . 0.0 111.229 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.057 1.743 . . . . 0.0 113.198 177.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.485 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 p -144.59 169.77 17.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.633 1.573 . . . . 0.0 111.658 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -131.11 98.45 4.58 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.832 1.253 . . . . 0.0 110.658 -170.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -129.28 19.75 5.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.051 1.74 . . . . 0.0 112.554 -175.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -51.65 135.84 28.05 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.308 1.443 . . . . 0.0 113.252 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 p -157.47 133.29 9.32 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.195 1.398 . . . . 0.0 111.082 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.7 m -151.39 154.23 33.35 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 125.979 1.712 . . . . 0.0 111.058 -177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.1 162.7 40.98 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.083 2.522 . . . . 0.0 112.679 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -63.79 -16.9 62.37 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.892 1.677 . . . . 0.0 115.444 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.79 33.89 81.4 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.373 0.987 . . . . 0.0 114.488 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -56.99 116.41 3.19 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.423 1.089 . . . . 0.0 112.019 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -147.53 141.23 25.63 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.897 1.679 . . . . 0.0 109.856 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.64 12.22 1.37 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.38 137.29 32.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.232 1.413 . . . . 0.0 111.6 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -147.08 -10.13 0.44 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.058 1.343 . . . . 0.0 114.065 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.19 -46.12 14.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.415 1.086 . . . . 0.0 112.579 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.72 -48.39 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.712 0.805 . . . . 0.0 111.39 175.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.49 153.49 41.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.264 0.626 . . . . 0.0 111.409 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.13 137.28 46.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.368 1.467 . . . . 0.0 109.856 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.56 154.34 24.95 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.336 1.454 . . . . 0.0 112.654 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t -104.91 118.18 35.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.373 1.469 . . . . 0.0 110.079 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -61.98 -15.81 46.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.075 1.35 . . . . 0.0 114.079 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -113.68 -4.84 13.38 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.08 1.352 . . . . 0.0 113.841 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.0 m -128.72 -25.71 2.81 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.59 -7.5 25.47 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.13 1.348 . . . . 0.0 116.173 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.7 tt -66.57 155.19 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.345 1.458 . . . . 0.0 111.948 173.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mp -120.77 131.69 54.63 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.594 1.558 . . . . 0.0 109.627 171.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.89 151.78 69.02 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.284 1.434 . . . . 0.0 110.309 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.19 -70.91 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.038 2.492 . . . . 0.0 113.214 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -167.22 -55.56 0.01 OUTLIER Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 124.92 1.288 . . . . 0.0 112.697 -177.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -70.29 -35.63 10.76 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.849 1.7 . . . . 0.0 112.677 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.4 mt -74.79 -29.36 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.376 1.07 . . . . 0.0 111.096 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.11 -35.23 69.2 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.361 -0.837 . . . . 0.0 112.231 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -57.11 -39.64 75.49 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 118.811 0.732 . . . . 0.0 112.758 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -66.94 -46.21 75.44 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.491 0.717 . . . . 0.0 111.738 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -62.52 -46.25 89.25 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.675 0.671 . . . . 0.0 110.852 175.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -56.09 -51.37 68.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.376 1.07 . . . . 0.0 111.934 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.3 -41.05 86.01 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.983 0.811 . . . . 0.0 112.963 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -48.55 63.14 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.763 0.71 . . . . 0.0 112.315 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.6 t -60.93 -46.86 89.0 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.284 1.834 . . . . 0.0 111.002 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -47.38 84.31 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.751 1.22 . . . . 0.0 112.233 172.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -61.62 -49.12 77.84 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.545 0.612 . . . . 0.0 111.934 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -44.52 96.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.774 0.829 . . . . 0.0 111.19 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -47.47 85.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.747 0.819 . . . . 0.0 112.384 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -62.98 -43.77 97.88 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.706 1.202 . . . . 0.0 112.674 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 m -72.63 -16.01 61.72 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 49.43 35.49 8.19 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.149 1.78 . . . . 0.0 112.566 -177.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.71 -13.4 83.06 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.694 1.14 . . . . 0.0 115.273 -170.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -143.38 154.85 44.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.048 1.739 . . . . 0.0 109.818 174.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.55 42.49 3.09 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.444 1.498 . . . . 0.0 112.511 -169.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.21 -5.55 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 125.387 1.475 . . . . 0.0 114.791 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.84 159.82 39.5 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.149 1.779 . . . . 0.0 112.326 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -144.46 141.65 29.73 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.935 1.694 . . . . 0.0 110.563 -176.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -154.04 168.87 25.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.425 1.49 . . . . 0.0 111.255 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.252 1.214 0 C-N-CA 125.685 1.594 . . . . 0.0 112.358 -177.003 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.02 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m 52.95 25.01 3.69 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -78.44 131.1 36.77 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.833 -1.167 . . . . 0.0 111.273 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -140.22 138.74 35.33 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.558 1.543 . . . . 0.0 110.624 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 m -150.68 147.23 27.12 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.004 1.721 . . . . 0.0 109.216 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 p -61.16 138.17 58.22 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.681 0.792 . . . . 0.0 112.674 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -65.83 152.9 92.34 Favored Pre-proline 0 N--CA 1.474 0.736 0 C-N-CA 124.37 1.068 . . . . 0.0 112.275 176.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -67.75 146.74 73.71 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.943 2.429 . . . . 0.0 112.159 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -144.58 145.49 31.84 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.333 1.853 . . . . 0.0 109.991 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.39 61.12 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 N-CA-C 114.462 0.545 . . . . 0.0 114.462 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -142.21 154.54 44.88 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.237 1.015 . . . . 0.0 112.005 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -151.27 127.34 10.44 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.733 1.613 . . . . 0.0 110.238 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.73 24.8 2.4 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.917 1.287 . . . . 0.0 112.797 -172.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.69 33.37 0.05 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.122 2.169 . . . . 0.0 115.069 -175.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -73.06 28.22 0.06 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.851 2.06 . . . . 0.0 113.925 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 t70 55.73 10.77 0.57 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.929 2.492 . . . . 0.0 115.619 -172.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -41.61 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.325 1.45 . . . . 0.0 112.086 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.18 154.05 35.96 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.915 0.886 . . . . 0.0 111.68 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.29 136.28 49.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.271 1.428 . . . . 0.0 108.725 174.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -120.42 142.27 49.37 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.163 1.385 . . . . 0.0 112.191 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.0 t -85.54 124.08 31.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.866 0.866 . . . . 0.0 110.242 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -64.27 -15.45 60.14 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.247 1.019 . . . . 0.0 113.597 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -114.19 -30.63 6.58 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.708 1.203 . . . . 0.0 113.137 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.6 m -98.82 -22.42 15.84 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.87 -12.76 10.23 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.33 1.443 . . . . 0.0 116.559 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -67.18 154.93 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.015 1.326 . . . . 0.0 111.938 173.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.75 131.46 55.37 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.452 1.501 . . . . 0.0 109.269 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -124.93 150.02 64.91 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.108 1.363 . . . . 0.0 110.505 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -71.5 -69.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 123.162 2.575 . . . . 0.0 113.37 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.03 -54.87 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.759 1.224 . . . . 0.0 112.883 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.28 -39.01 1.24 Allowed 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.835 1.69 . . . . 0.0 112.879 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.3 mt -66.4 -29.25 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.042 0.937 . . . . 0.0 111.077 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.9 tp -55.66 -31.44 62.37 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.194 0.997 . . . . 0.0 112.633 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -56.35 -41.95 76.95 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.226 0.921 . . . . 0.0 112.315 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -64.62 -39.68 94.14 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.736 0.815 . . . . 0.0 112.059 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -64.4 -45.31 88.2 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.689 -0.632 . . . . 0.0 111.28 173.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.28 -45.29 84.24 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.083 0.856 . . . . 0.0 111.932 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.29 -40.53 77.67 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.178 0.899 . . . . 0.0 113.397 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -68.23 -49.29 61.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.956 1.253 . . . . 0.0 112.558 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -43.33 99.07 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.252 1.421 . . . . 0.0 109.952 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -59.01 -50.69 73.12 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.885 1.274 . . . . 0.0 112.609 169.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -59.5 -46.04 89.98 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.979 0.809 . . . . 0.0 111.847 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -46.39 78.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.246 0.619 . . . . 0.0 111.229 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.4 -32.41 73.24 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.2 t -75.73 -38.49 58.43 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.419 1.088 . . . . 0.0 112.19 173.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 t -68.54 -31.69 71.1 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.336 1.455 . . . . 0.0 113.243 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 54.48 25.98 6.71 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.412 1.885 . . . . 0.0 113.73 -175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.19 163.26 52.72 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.74 1.162 . . . . 0.0 114.653 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.96 81.17 6.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.38 1.472 . . . . 0.0 111.893 -177.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -76.33 168.4 20.13 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.902 1.281 . . . . 0.0 111.182 167.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.1 m -121.19 155.02 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.79 1.636 . . . . 0.0 111.532 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -150.24 173.07 14.37 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.739 1.216 . . . . 0.0 113.485 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -132.85 -17.5 2.46 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -147.07 -19.44 0.4 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.251 1.141 0 C-N-CA 125.169 1.388 . . . . 0.0 112.268 -173.251 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.064 -0.415 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -125.84 108.8 11.82 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.552 1.541 . . . . 0.0 109.343 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -86.02 48.77 1.66 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.82 1.248 . . . . 0.0 112.789 -165.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -42.15 -46.27 4.3 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.594 1.957 . . . . 0.0 115.107 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.2 p -138.98 7.5 2.46 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 125.375 1.47 . . . . 0.0 113.241 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -88.45 46.3 1.37 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.485 1.514 . . . . 0.0 112.696 -172.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.4 m -142.43 153.6 62.61 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 125.675 1.59 . . . . 0.0 111.833 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.51 152.47 78.46 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.219 2.612 . . . . 0.0 112.095 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -62.93 -38.9 92.85 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.201 1.0 . . . . 0.0 113.626 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 48.18 -132.58 19.28 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.665 1.126 . . . . 0.0 113.223 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -145.32 164.38 31.64 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.901 1.28 . . . . 0.0 112.147 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -76.85 77.92 3.44 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.903 1.281 . . . . 0.0 112.201 -176.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.09 -5.92 3.58 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.56 59.66 0.14 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.491 2.316 . . . . 0.0 114.231 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -124.27 30.36 6.09 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.203 1.801 . . . . 0.0 111.964 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t0 51.46 39.85 25.44 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.212 1.805 . . . . 0.0 113.838 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.8 tt -128.84 -30.93 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.593 1.957 . . . . 0.0 112.864 -174.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt -135.26 165.2 25.98 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.572 1.949 . . . . 0.0 109.536 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -131.28 137.34 48.8 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.334 1.454 . . . . 0.0 109.777 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -99.11 151.54 20.85 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.774 1.23 . . . . 0.0 111.962 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.9 t -98.27 120.0 37.92 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.848 1.259 . . . . 0.0 109.91 173.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.0 p -68.2 -6.38 23.2 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.041 1.337 . . . . 0.0 114.556 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -121.17 -5.58 9.45 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.454 1.501 . . . . 0.0 113.315 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.9 m -130.2 -25.78 2.43 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.823 1.249 . . . . 0.0 113.757 -173.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.24 -8.1 33.94 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.079 1.323 . . . . 0.0 116.147 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.2 tt -68.57 155.39 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.386 1.474 . . . . 0.0 111.972 173.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mp -123.11 130.52 52.88 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.656 1.582 . . . . 0.0 110.176 172.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.73 151.98 76.26 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.561 1.544 . . . . 0.0 110.115 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.11 -69.29 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 122.793 2.329 . . . . 0.0 113.689 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.75 -56.36 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.958 1.303 . . . . 0.0 112.623 -176.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.44 -37.08 1.47 Allowed 'Trans proline' 0 C--N 1.355 0.905 0 CA-C-N 121.657 1.628 . . . . 0.0 113.612 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -69.35 -26.79 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 121.012 -1.055 . . . . 0.0 111.177 174.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.6 tp -57.49 -29.63 64.45 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 118.124 -0.941 . . . . 0.0 112.418 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -59.5 -39.4 83.66 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 120.343 1.429 . . . . 0.0 112.611 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.32 -45.7 79.39 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.242 0.617 . . . . 0.0 111.48 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -63.35 -45.64 90.27 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 118.395 0.543 . . . . 0.0 110.855 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -56.34 -49.96 72.87 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.529 1.132 . . . . 0.0 112.032 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.06 -41.07 95.47 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.601 1.091 . . . . 0.0 112.944 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -71.43 -48.43 49.61 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.592 0.757 . . . . 0.0 111.716 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.61 -44.56 96.15 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.701 2.001 . . . . 0.0 111.07 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -48.78 79.77 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.596 1.159 . . . . 0.0 112.312 172.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -62.84 -41.9 99.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.491 0.587 . . . . 0.0 112.247 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.31 -48.3 80.46 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.521 -0.737 . . . . 0.0 111.445 171.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.47 77.32 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.58 1.082 . . . . 0.0 113.597 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.4 p -76.23 -31.12 58.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -77.79 -23.49 49.14 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.573 1.149 . . . . 0.0 114.019 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -73.77 46.14 0.21 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.532 2.333 . . . . 0.0 113.286 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.91 49.86 2.55 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 126.508 2.004 . . . . 0.0 114.517 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.16 66.24 1.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.186 2.194 . . . . 0.0 112.847 -177.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -136.37 46.36 2.27 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.401 1.481 . . . . 0.0 112.854 -172.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.7 m -128.7 157.4 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 125.545 1.538 . . . . 0.0 112.922 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -78.84 55.99 1.83 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.306 1.843 . . . . 0.0 112.425 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -132.69 -2.98 3.31 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.314 1.446 . . . . 0.0 113.502 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -140.19 109.19 6.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.957 1.303 . . . . 0.0 110.131 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.422 1.889 . . . . 0.0 111.857 -172.084 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.367 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -151.47 22.79 0.72 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.179 1.392 . . . . 0.0 111.299 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 7.8 mp0 -55.83 154.61 6.92 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.847 2.459 . . . . 0.0 112.508 -174.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -129.35 1.66 5.11 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.704 1.202 . . . . 0.0 113.362 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -152.48 152.54 32.07 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.255 1.822 . . . . 0.0 109.966 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -101.29 164.46 11.77 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.661 1.184 . . . . 0.0 111.965 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 m -133.28 61.81 56.99 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.176 1.39 . . . . 0.0 112.303 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.94 -2.21 12.22 Favored 'Trans proline' 0 CA--C 1.547 1.173 0 C-N-CA 124.098 3.199 . . . . 0.0 114.068 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -131.54 168.92 16.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.131 2.172 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.34 145.06 31.89 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.296 0.95 . . . . 0.0 113.863 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.01 168.43 20.04 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.793 1.237 . . . . 0.0 114.31 -174.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -101.69 -49.79 3.89 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.929 1.692 . . . . 0.0 113.925 -175.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.65 -5.77 0.18 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.288 1.435 . . . . 0.0 114.145 -174.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.66 30.55 0.16 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.063 1.745 . . . . 0.0 114.169 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -58.46 -15.41 10.82 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.107 1.363 . . . . 0.0 114.648 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -68.16 -34.17 75.83 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.127 1.371 . . . . 0.0 114.318 174.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.57 -33.1 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 119.195 0.907 . . . . 0.0 111.58 174.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 mt -63.28 165.15 7.84 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.994 0.902 . . . . 0.0 112.928 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -131.68 148.76 52.61 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.33 1.852 . . . . 0.0 109.586 171.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -127.9 140.17 52.17 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.83 1.252 . . . . 0.0 111.405 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -79.59 116.66 19.92 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 122.873 0.469 . . . . 0.0 110.036 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 t -64.05 -8.87 13.17 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.398 1.079 . . . . 0.0 113.628 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -116.72 -16.41 10.67 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.067 1.347 . . . . 0.0 113.388 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.6 m -121.33 -18.53 7.31 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.578 1.151 . . . . 0.0 114.038 -175.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.54 -13.61 8.0 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.261 1.41 . . . . 0.0 116.228 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 tt -64.56 156.02 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.483 1.513 . . . . 0.0 112.304 174.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.95 135.27 53.55 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.531 1.532 . . . . 0.0 110.689 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -128.95 153.23 80.16 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.818 1.647 . . . . 0.0 110.282 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.73 -72.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.014 2.476 . . . . 0.0 112.948 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mt -159.27 -54.39 0.01 OUTLIER Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.607 1.163 . . . . 0.0 113.628 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -75.67 -38.38 1.35 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 CA-C-N 121.783 1.673 . . . . 0.0 113.499 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.27 -25.64 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.283 -0.886 . . . . 0.0 111.64 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.0 tp -54.9 -35.17 63.85 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.207 -0.933 . . . . 0.0 112.287 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.85 -38.89 79.74 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.7 0.8 . . . . 0.0 112.727 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.35 -44.1 84.19 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.634 0.773 . . . . 0.0 111.542 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.65 -47.82 79.74 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.464 0.575 . . . . 0.0 110.882 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -52.66 -54.06 38.66 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.16 0.984 . . . . 0.0 112.217 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.37 -39.41 94.45 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.75 1.159 . . . . 0.0 113.277 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -73.12 -46.91 48.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.652 0.66 . . . . 0.0 111.603 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.9 t -61.39 -44.56 96.94 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.982 1.713 . . . . 0.0 111.056 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -61.65 -48.08 82.45 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.376 1.07 . . . . 0.0 112.499 172.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -60.43 -45.39 93.8 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.598 0.636 . . . . 0.0 112.07 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.41 -49.94 71.8 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.424 1.09 . . . . 0.0 111.161 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.56 87.87 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.8 t -66.99 -42.15 85.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.142 0.977 . . . . 0.0 112.246 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.0 m -70.6 -33.22 70.81 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.207 1.003 . . . . 0.0 113.053 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -77.16 59.97 1.83 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.687 1.995 . . . . 0.0 111.857 176.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.58 -25.89 67.72 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.781 1.181 . . . . 0.0 114.237 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -69.82 108.4 3.94 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.966 1.307 . . . . 0.0 111.059 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -67.03 124.21 22.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.628 0.771 . . . . 0.0 110.86 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.8 m -147.55 162.77 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.605 1.562 . . . . 0.0 111.577 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -55.98 137.58 50.59 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.231 1.012 . . . . 0.0 111.271 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -152.32 150.48 29.78 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.138 1.375 . . . . 0.0 111.464 -173.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -76.95 146.67 37.38 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.8 p . . . . . 0 C--O 1.252 1.192 0 C-N-CA 126.32 1.848 . . . . 0.0 114.322 171.792 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 CA-C-O 118.205 -1.33 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -155.99 168.5 27.04 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.701 1.201 . . . . 0.0 110.9 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -86.84 76.66 9.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.528 1.531 . . . . 0.0 111.531 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -59.26 140.15 56.27 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.76 0.824 . . . . 0.0 112.024 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 t -71.12 176.37 4.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.321 1.048 . . . . 0.0 112.408 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -139.66 177.27 8.07 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.604 1.561 . . . . 0.0 111.63 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.0 m -122.9 150.08 58.09 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.431 1.492 . . . . 0.0 111.912 -170.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.28 150.23 70.91 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.168 2.579 . . . . 0.0 112.52 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -68.82 168.21 13.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.34 1.056 . . . . 0.0 112.684 170.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.25 169.75 42.83 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.976 1.274 . . . . 0.0 112.845 173.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -69.82 161.89 28.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.075 0.95 . . . . 0.0 112.754 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -146.33 163.28 36.03 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.867 1.667 . . . . 0.0 111.48 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.89 -51.22 9.38 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 172.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 50.11 36.82 12.98 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.345 1.458 . . . . 0.0 114.487 -171.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -121.39 41.86 3.23 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.269 1.828 . . . . 0.0 112.149 -178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 54.21 37.11 26.58 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.961 1.704 . . . . 0.0 114.274 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.5 tt -120.37 -28.25 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 126.615 1.966 . . . . 0.0 112.797 -174.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -136.77 162.18 33.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.684 1.994 . . . . 0.0 109.455 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -132.27 136.36 46.89 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.404 1.482 . . . . 0.0 109.551 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -112.56 151.29 30.19 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.534 1.533 . . . . 0.0 111.655 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 t -111.0 114.43 27.73 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.271 1.028 . . . . 0.0 110.4 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 p -61.49 -8.61 4.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.84 1.656 . . . . 0.0 114.989 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -114.63 -3.22 12.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.641 1.576 . . . . 0.0 112.956 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 m -133.46 -31.06 1.24 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -172.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.68 12.43 84.49 Favored Glycine 0 CA--C 1.542 1.745 0 N-CA-C 116.224 1.249 . . . . 0.0 116.224 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 tt -103.28 156.34 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.814 1.646 . . . . 0.0 110.937 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.1 128.28 48.21 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.374 1.47 . . . . 0.0 110.326 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -126.25 151.7 72.56 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 125.328 1.451 . . . . 0.0 110.27 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.65 -75.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.842 2.361 . . . . 0.0 112.951 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mt -159.39 -50.27 0.01 OUTLIER Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.414 1.485 . . . . 0.0 113.558 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -78.02 -41.16 0.31 Allowed 'Trans proline' 0 CA--C 1.541 0.83 0 CA-C-N 121.443 1.551 . . . . 0.0 113.632 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.86 -25.42 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 121.107 -0.995 . . . . 0.0 111.75 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.57 -26.17 42.13 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.542 1.137 . . . . 0.0 112.716 171.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -57.82 -44.99 86.77 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.293 0.951 . . . . 0.0 112.547 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -63.51 -40.34 96.8 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.763 -0.585 . . . . 0.0 111.318 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -61.43 -49.49 76.64 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.172 174.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -55.78 -43.87 77.19 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.472 0.709 . . . . 0.0 112.368 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -65.11 -47.64 76.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.341 0.973 . . . . 0.0 112.988 175.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -68.38 -47.94 66.05 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.73 0.696 . . . . 0.0 111.989 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 t -61.41 -43.23 99.23 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.124 1.769 . . . . 0.0 111.009 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -62.24 -47.41 84.48 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.287 1.035 . . . . 0.0 112.403 171.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -58.49 -45.98 87.61 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.757 0.708 . . . . 0.0 111.597 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -51.84 67.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.271 1.028 . . . . 0.0 110.859 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.48 85.42 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -69.68 -41.99 74.72 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.16 0.984 . . . . 0.0 112.435 176.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.4 t -66.3 -39.55 89.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.924 1.289 . . . . 0.0 112.559 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.55 59.59 1.51 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.807 2.043 . . . . 0.0 112.464 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.27 -35.61 85.36 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.133 1.349 . . . . 0.0 114.696 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -83.49 125.74 32.06 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.385 1.074 . . . . 0.0 110.422 172.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -70.39 164.98 23.42 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.898 0.856 . . . . 0.0 113.121 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.79 176.43 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.17 1.388 . . . . 0.0 112.042 171.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -123.34 20.22 9.69 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.569 1.548 . . . . 0.0 113.063 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -148.21 171.99 15.05 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.594 1.957 . . . . 0.0 111.264 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -140.11 -36.35 0.49 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.501 1.121 . . . . 0.0 113.508 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.254 1.3 0 C-N-CA 127.711 2.404 . . . . 0.0 115.038 176.616 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 N-CA-C 112.235 -0.346 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -68.44 172.25 6.31 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.643 1.177 . . . . 0.0 112.364 169.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.7 152.3 22.97 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 121.285 -0.885 . . . . 0.0 113.137 175.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -116.93 149.06 40.77 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.188 1.395 . . . . 0.0 111.374 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.5 m -65.41 -55.05 20.19 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.35 1.06 . . . . 0.0 112.493 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -156.79 156.28 33.0 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.233 1.813 . . . . 0.0 111.13 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.4 p -83.98 162.89 50.75 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 112.165 168.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.22 -4.88 15.99 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 123.459 2.773 . . . . 0.0 114.464 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 46.79 45.97 15.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.886 2.074 . . . . 0.0 114.394 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.77 173.88 32.4 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.105 1.336 . . . . 0.0 113.324 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -139.03 91.1 2.49 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.172 1.389 . . . . 0.0 110.975 -170.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -152.63 142.5 22.1 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.767 1.227 . . . . 0.0 111.694 177.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.99 -8.21 59.23 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -17.91 45.42 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -91.36 -8.76 47.13 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -82.67 -28.73 30.43 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -37.67 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.781 0.833 . . . . 0.0 111.902 174.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.67 158.31 21.8 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.15 0.98 . . . . 0.0 112.086 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -123.12 149.04 45.02 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.926 1.69 . . . . 0.0 110.09 171.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -131.77 165.88 22.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.188 1.795 . . . . 0.0 110.911 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -134.82 115.14 13.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.466 1.106 . . . . 0.0 110.18 -172.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -62.93 -4.83 2.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.392 1.877 . . . . 0.0 115.466 -173.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -125.06 4.81 7.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.508 1.523 . . . . 0.0 113.541 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.3 m -127.47 -32.49 2.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.005 1.322 . . . . 0.0 113.468 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.72 -14.12 14.7 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.464 1.506 . . . . 0.0 116.317 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -74.35 156.66 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.591 1.556 . . . . 0.0 112.385 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.33 137.5 54.67 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.342 1.457 . . . . 0.0 110.674 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -130.22 152.49 80.23 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.92 1.688 . . . . 0.0 110.35 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -74.05 -70.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.833 2.355 . . . . 0.0 113.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -162.94 -55.84 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.921 1.288 . . . . 0.0 113.344 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.27 -33.15 3.57 Favored 'Trans proline' 0 C--N 1.355 0.875 0 CA-C-N 121.827 1.688 . . . . 0.0 113.822 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.14 -25.76 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 121.102 -0.998 . . . . 0.0 111.242 173.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.7 tp -58.16 -25.44 61.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.584 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -53.92 -44.73 70.82 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.615 1.552 . . . . 0.0 113.09 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -63.65 -40.53 97.09 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.34 0.656 . . . . 0.0 111.713 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -65.89 -43.73 87.39 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.875 -0.516 . . . . 0.0 112.045 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -48.29 80.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.737 1.215 . . . . 0.0 111.14 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.72 -36.13 82.71 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.631 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -64.95 -53.35 47.74 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.03 1.286 . . . . 0.0 112.857 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 m -59.64 -42.33 92.51 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.235 0.614 . . . . 0.0 111.212 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.74 -46.17 89.31 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.145 0.978 . . . . 0.0 112.239 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -58.51 -45.91 87.82 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.415 1.086 . . . . 0.0 112.573 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.65 -44.15 82.68 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 118.846 -0.597 . . . . 0.0 112.078 173.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.59 98.8 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.145 0.884 . . . . 0.0 113.236 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.8 p -73.83 -35.47 64.83 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.415 0.686 . . . . 0.0 112.826 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.1 m -67.83 -32.02 72.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.464 0.706 . . . . 0.0 112.81 174.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -63.53 -47.45 81.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.27 1.028 . . . . 0.0 111.365 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.09 -66.74 0.14 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 127.038 2.256 . . . . 0.0 113.662 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -77.74 76.37 4.27 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.561 1.944 . . . . 0.0 109.695 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -57.74 144.77 37.01 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.458 0.703 . . . . 0.0 111.524 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.3 m -72.93 -20.58 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 44.08 31.72 0.56 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.37 1.868 . . . . 0.0 114.476 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 41.78 60.71 2.11 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 127.276 2.231 . . . . 0.0 113.968 -170.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -62.95 -12.27 24.36 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 116.215 1.931 . . . . 0.0 116.215 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.788 2.435 . . . . 0.0 114.807 -177.073 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -119.79 50.59 1.25 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.979 1.312 . . . . 0.0 112.409 -169.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.41 139.82 58.58 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.396 1.079 . . . . 0.0 111.774 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -143.83 67.72 1.28 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.321 1.048 . . . . 0.0 110.838 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m 55.85 35.63 25.77 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.371 1.468 . . . . 0.0 112.326 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -63.35 -29.2 70.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.503 1.521 . . . . 0.0 114.365 -173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.8 t -164.59 148.13 7.65 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 126.879 2.072 . . . . 0.0 110.01 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.02 172.63 11.59 Favored 'Trans proline' 0 CA--C 1.545 1.069 0 C-N-CA 123.378 2.719 . . . . 0.0 113.377 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -139.4 140.41 37.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.46 1.504 . . . . 0.0 111.331 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.85 39.78 1.12 Allowed Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.274 1.416 . . . . 0.0 112.605 -173.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -130.19 42.15 3.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.298 1.839 . . . . 0.0 110.944 -166.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -144.56 140.08 28.57 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.653 1.581 . . . . 0.0 111.618 -171.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.23 86.33 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.074 0.95 . . . . 0.0 113.314 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.21 66.13 8.59 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.261 1.424 . . . . 0.0 111.713 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -101.0 -7.53 23.21 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.494 1.117 . . . . 0.0 113.535 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -78.49 -29.65 46.8 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.546 1.138 . . . . 0.0 113.727 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -41.21 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.038 0.935 . . . . 0.0 111.748 173.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.37 155.74 24.37 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.317 1.047 . . . . 0.0 111.289 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -118.32 134.83 54.71 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.539 1.136 . . . . 0.0 110.218 173.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -106.31 147.47 29.14 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.446 1.899 . . . . 0.0 109.966 -176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.1 t -112.95 110.56 20.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.921 1.288 . . . . 0.0 109.466 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -63.33 -3.46 1.97 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.209 1.404 . . . . 0.0 114.513 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -122.51 -6.04 8.71 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.944 1.698 . . . . 0.0 113.334 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.3 m -132.07 -28.36 1.74 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.086 1.354 . . . . 0.0 113.874 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.54 -8.62 33.26 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.545 1.545 . . . . 0.0 116.148 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.44 158.71 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.705 1.602 . . . . 0.0 112.863 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mp -127.91 128.22 44.75 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.514 1.526 . . . . 0.0 110.752 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -128.49 150.89 75.71 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 125.678 1.591 . . . . 0.0 110.324 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -72.47 -63.97 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.13 2.554 . . . . 0.0 113.481 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.3 tp -169.13 -58.8 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.703 1.601 . . . . 0.0 112.016 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.08 -38.6 3.73 Favored 'Trans proline' 0 C--N 1.354 0.84 0 CA-C-N 121.783 1.672 . . . . 0.0 113.38 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -69.02 -27.02 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.962 0.801 . . . . 0.0 111.615 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.39 -30.48 64.94 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.238 -0.913 . . . . 0.0 112.184 173.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -57.1 -39.55 75.27 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.838 1.199 . . . . 0.0 112.54 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -69.14 -44.74 71.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.574 0.75 . . . . 0.0 112.191 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -62.09 -45.81 91.86 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.847 0.749 . . . . 0.0 110.777 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -55.87 -52.41 64.14 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.006 1.323 . . . . 0.0 111.688 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.09 -38.95 93.24 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.618 1.099 . . . . 0.0 113.268 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -46.84 43.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.757 0.823 . . . . 0.0 111.872 -177.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -60.96 -45.26 95.46 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.894 2.078 . . . . 0.0 110.735 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -57.58 -51.52 69.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.47 1.108 . . . . 0.0 112.362 170.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -62.33 -44.91 95.39 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.467 0.576 . . . . 0.0 111.883 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.33 -44.54 87.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.848 0.859 . . . . 0.0 112.43 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.11 75.88 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.799 0.84 . . . . 0.0 112.822 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.4 t -67.11 -41.78 85.64 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.055 0.942 . . . . 0.0 111.974 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 t -70.31 -25.18 63.2 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.884 1.274 . . . . 0.0 113.814 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 52.89 27.57 5.63 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.474 1.909 . . . . 0.0 113.409 -173.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.18 -48.78 29.97 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.05 0.833 . . . . 0.0 114.174 -169.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -80.27 160.0 25.67 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.032 0.933 . . . . 0.0 110.874 171.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -119.79 97.76 5.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 110.369 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.5 m -69.18 160.71 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.167 1.387 . . . . 0.0 112.567 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -96.98 91.71 5.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.026 1.33 . . . . 0.0 110.798 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.8 155.37 42.31 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.956 1.302 . . . . 0.0 111.102 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -118.56 150.77 39.09 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.091 1.356 . . . . 0.0 111.748 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.254 1.322 0 C-N-CA 125.429 1.491 . . . . 0.0 112.678 -175.166 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -70.86 143.58 51.0 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 117.838 0.819 . . . . 0.0 111.728 173.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.57 -21.98 44.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.708 0.803 . . . . 0.0 112.932 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 46.23 21.42 0.11 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.847 2.059 . . . . 0.0 115.676 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 p -62.52 115.82 4.58 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.103 1.361 . . . . 0.0 111.815 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 p -152.18 167.56 28.17 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.063 1.745 . . . . 0.0 110.672 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.9 p -140.08 155.97 70.45 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 124.57 1.148 . . . . 0.0 112.348 -173.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -68.41 165.62 28.34 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.185 2.59 . . . . 0.0 113.012 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -137.27 170.42 16.11 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.274 1.83 . . . . 0.0 111.814 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.4 -166.99 30.95 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.112 0.863 . . . . 0.0 113.13 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.25 45.08 0.27 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.501 1.92 . . . . 0.0 114.13 -174.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -53.47 -42.37 67.16 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.55 1.54 . . . . 0.0 113.105 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 45.52 40.91 6.26 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 125.876 1.671 . . . . 0.0 114.855 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.44 92.06 3.11 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.014 1.326 . . . . 0.0 110.761 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -134.41 5.66 3.49 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.345 1.458 . . . . 0.0 112.304 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.55 -13.7 59.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.828 1.651 . . . . 0.0 113.466 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.14 -47.79 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.529 1.532 . . . . 0.0 111.204 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.14 140.33 58.86 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.723 0.692 . . . . 0.0 110.832 170.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -112.98 143.12 44.82 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.06 1.744 . . . . 0.0 109.347 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -129.8 121.45 26.82 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.616 1.166 . . . . 0.0 111.928 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 t -78.1 121.22 24.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.195 1.398 . . . . 0.0 111.783 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -67.33 -6.57 19.35 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -122.28 -5.56 8.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.267 1.427 . . . . 0.0 113.193 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.4 m -129.83 -24.52 2.67 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.667 1.187 . . . . 0.0 113.846 -174.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.48 -11.03 19.95 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.177 1.37 . . . . 0.0 116.338 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 tp -68.92 149.49 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.71 1.604 . . . . 0.0 112.596 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -114.54 127.15 55.65 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.649 1.58 . . . . 0.0 110.038 173.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -126.88 146.05 56.01 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.84 1.256 . . . . 0.0 110.923 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.81 -66.09 0.03 OUTLIER 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.277 2.651 . . . . 0.0 113.727 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.1 tp -169.73 -58.41 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.749 1.62 . . . . 0.0 111.852 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.95 -32.28 29.03 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.712 1.608 . . . . 0.0 112.911 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.8 mt -80.28 -29.57 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.543 1.137 . . . . 0.0 111.195 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 tp -57.39 -34.41 68.84 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.873 0.869 . . . . 0.0 112.135 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -56.01 -38.73 70.9 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.843 0.857 . . . . 0.0 112.851 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -71.49 -42.63 67.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.698 0.799 . . . . 0.0 112.418 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -63.65 -44.9 92.48 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.936 0.789 . . . . 0.0 110.803 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -56.46 -50.33 72.02 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.403 1.081 . . . . 0.0 111.994 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -65.2 -39.85 93.37 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.228 0.922 . . . . 0.0 113.135 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -67.56 -50.39 58.7 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.456 1.026 . . . . 0.0 112.468 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.24 -44.71 95.94 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.001 1.721 . . . . 0.0 110.377 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -62.6 -46.61 87.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.864 1.266 . . . . 0.0 112.892 172.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -60.45 -45.86 92.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.814 0.734 . . . . 0.0 111.683 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 tp -63.49 -45.42 90.81 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.415 0.686 . . . . 0.0 111.71 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.81 84.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 t -72.89 -41.03 65.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.261 1.024 . . . . 0.0 112.461 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -70.12 -26.0 63.75 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.476 1.51 . . . . 0.0 113.139 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 56.17 27.0 10.93 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.902 2.081 . . . . 0.0 113.253 -177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.76 -44.46 92.21 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.795 1.188 . . . . 0.0 114.573 -170.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.24 136.88 14.28 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.511 1.524 . . . . 0.0 110.028 171.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -130.92 139.94 50.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.88 1.272 . . . . 0.0 110.326 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -77.98 -18.03 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -79.49 92.62 5.29 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.459 1.504 . . . . 0.0 109.19 168.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -129.43 145.88 51.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.621 1.569 . . . . 0.0 109.414 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -141.11 172.0 13.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.313 1.445 . . . . 0.0 112.804 -166.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.255 1.343 0 C-N-CA 125.976 1.71 . . . . 0.0 111.664 -173.079 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m -75.42 65.48 1.7 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.866 1.666 . . . . 0.0 113.397 -177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -121.29 35.96 4.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.319 1.848 . . . . 0.0 111.699 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 56.06 21.01 4.72 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.399 1.88 . . . . 0.0 114.914 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.1 m -86.99 76.16 9.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.555 1.542 . . . . 0.0 110.836 -174.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.0 m -78.42 -12.17 59.99 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m 40.51 59.4 7.68 Favored Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 126.901 2.08 . . . . 0.0 114.967 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -68.29 -28.52 33.33 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.251 2.634 . . . . 0.0 114.162 -173.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -144.68 167.8 21.7 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.778 2.031 . . . . 0.0 110.857 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.89 45.5 0.22 Allowed Glycine 0 CA--C 1.536 1.357 0 C-N-CA 123.752 0.691 . . . . 0.0 114.695 -173.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.95 149.69 46.72 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.071 0.949 . . . . 0.0 113.156 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -151.85 154.39 36.08 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.023 1.329 . . . . 0.0 112.076 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -21.91 66.38 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.93 36.28 3.5 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.661 1.584 . . . . 0.0 112.053 -173.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -58.39 -16.5 14.99 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -69.56 -34.0 73.55 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -38.65 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.942 0.792 . . . . 0.0 111.122 173.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.81 164.16 3.97 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.674 0.789 . . . . 0.0 112.109 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -127.78 145.3 50.96 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.311 1.445 . . . . 0.0 109.893 169.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.92 156.73 37.5 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.371 1.869 . . . . 0.0 110.415 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -129.88 113.7 14.96 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.083 1.353 . . . . 0.0 110.36 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 m -63.64 -4.66 3.15 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.916 1.686 . . . . 0.0 114.939 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -111.37 -5.56 14.62 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.625 1.57 . . . . 0.0 112.746 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.8 m -131.48 -36.89 1.24 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.755 1.222 . . . . 0.0 113.8 -170.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.75 -9.59 59.05 Favored Glycine 0 CA--C 1.543 1.827 0 C-N-CA 125.465 1.507 . . . . 0.0 116.55 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -76.27 160.87 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.539 1.535 . . . . 0.0 112.31 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.5 133.25 51.21 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.772 1.629 . . . . 0.0 110.933 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -128.6 150.33 74.35 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 125.498 1.519 . . . . 0.0 110.702 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -70.82 -68.38 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.193 2.595 . . . . 0.0 113.651 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 tp -167.95 -56.94 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.5 1.52 . . . . 0.0 111.882 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.06 -38.4 3.94 Favored 'Trans proline' 0 C--N 1.353 0.765 0 CA-C-N 121.647 1.624 . . . . 0.0 112.856 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mt -69.58 -25.64 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.074 0.95 . . . . 0.0 111.284 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.98 -26.6 60.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.16 0.984 . . . . 0.0 112.631 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -56.29 -43.36 78.79 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.79 1.177 . . . . 0.0 112.206 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -61.02 -41.72 97.1 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.829 -0.544 . . . . 0.0 111.428 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -59.57 -50.63 73.15 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.889 -0.577 . . . . 0.0 111.357 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -57.78 -43.52 85.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.941 0.791 . . . . 0.0 112.247 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -67.05 -44.38 80.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.399 0.999 . . . . 0.0 112.787 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -50.06 50.09 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.542 -0.724 . . . . 0.0 111.652 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.46 -40.88 92.8 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.118 1.767 . . . . 0.0 110.949 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -61.07 -50.09 74.68 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.389 1.076 . . . . 0.0 112.372 171.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -60.08 -43.05 95.76 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.773 0.715 . . . . 0.0 111.894 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.93 -48.32 77.02 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.317 1.047 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.7 78.46 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 t -68.1 -42.1 80.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.173 0.989 . . . . 0.0 112.249 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.5 t -69.65 -37.84 76.9 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.047 1.339 . . . . 0.0 112.945 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -116.49 71.99 0.8 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.073 2.149 . . . . 0.0 110.832 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -52.63 112.53 2.17 Favored Glycine 0 CA--C 1.535 1.303 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 169.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -60.16 164.94 3.73 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.782 1.233 . . . . 0.0 112.464 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -62.28 117.57 6.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.568 0.747 . . . . 0.0 110.918 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.5 m -124.31 15.18 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 125.763 1.625 . . . . 0.0 112.111 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.6 mtm105 -57.25 155.03 9.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.612 1.165 . . . . 0.0 111.827 171.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -138.39 146.85 42.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.842 1.657 . . . . 0.0 109.719 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -138.32 132.0 30.91 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.739 1.216 . . . . 0.0 109.78 -173.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.254 1.34 0 C-N-CA 125.822 1.649 . . . . 0.0 111.583 -169.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -149.19 166.61 28.32 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.097 1.359 . . . . 0.0 111.025 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.59 149.69 38.43 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.537 -0.727 . . . . 0.0 111.668 167.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -64.89 160.59 20.17 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.199 1.0 . . . . 0.0 112.772 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.4 p -139.81 169.93 16.81 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.601 1.56 . . . . 0.0 111.733 -177.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 p -65.74 -20.0 66.11 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t 37.96 61.36 4.35 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 127.005 2.122 . . . . 0.0 114.687 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -67.21 127.54 16.87 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.486 2.791 . . . . 0.0 112.144 -173.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -158.88 160.97 36.74 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.905 1.682 . . . . 0.0 111.122 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.81 159.89 38.57 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 123.993 0.806 . . . . 0.0 113.739 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.31 134.12 46.53 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.897 0.879 . . . . 0.0 112.464 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -141.48 -34.95 0.47 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.833 1.253 . . . . 0.0 114.077 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 45.43 48.4 10.74 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.892 1.677 . . . . 0.0 115.05 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.62 1.22 1.84 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -176.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -59.03 -13.24 6.07 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 -171.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.29 -5.03 50.65 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.242 1.417 . . . . 0.0 114.001 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.2 tt -132.07 -31.82 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.527 1.531 . . . . 0.0 112.944 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.95 170.47 15.3 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.271 1.828 . . . . 0.0 109.924 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -130.76 144.67 51.61 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.106 1.362 . . . . 0.0 109.229 167.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.44 133.72 55.56 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.412 1.485 . . . . 0.0 110.048 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -92.94 115.46 28.15 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.347 1.059 . . . . 0.0 110.624 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.3 p -62.93 -7.03 4.41 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -128.78 2.82 5.42 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.65 1.58 . . . . 0.0 113.977 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.2 m -130.03 -28.35 2.18 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.846 1.258 . . . . 0.0 113.62 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.56 -5.62 36.17 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.3 1.429 . . . . 0.0 116.074 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -68.19 156.57 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.254 1.422 . . . . 0.0 111.773 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -123.25 126.48 47.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.52 1.528 . . . . 0.0 110.037 173.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -122.93 148.5 54.17 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.897 1.279 . . . . 0.0 110.131 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.36 -76.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.103 2.535 . . . . 0.0 112.936 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mt -161.56 -56.34 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 125.648 1.579 . . . . 0.0 112.208 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.24 -1.79 11.73 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 123.387 2.725 . . . . 0.0 114.898 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.6 mt -114.04 -25.07 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.676 1.59 . . . . 0.0 110.494 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 tp -56.31 -41.27 75.71 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.285 1.034 . . . . 0.0 112.122 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -55.03 -43.72 73.98 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -66.02 -40.75 91.33 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.028 0.831 . . . . 0.0 112.031 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -61.82 -48.37 80.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.666 0.666 . . . . 0.0 110.871 170.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -60.63 -39.42 88.18 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.224 1.01 . . . . 0.0 112.967 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -64.82 -47.36 78.29 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.356 0.98 . . . . 0.0 112.596 172.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -66.27 -46.04 78.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.645 0.778 . . . . 0.0 112.805 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.1 t -60.54 -45.21 94.7 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.355 1.862 . . . . 0.0 110.258 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -64.11 -43.13 96.28 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.214 1.006 . . . . 0.0 112.928 172.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -58.71 -49.29 78.14 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.347 0.976 . . . . 0.0 111.297 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.99 -48.72 80.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.328 0.651 . . . . 0.0 111.569 177.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.04 85.61 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -67.48 -45.21 76.55 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.483 1.113 . . . . 0.0 112.103 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 m -69.48 -29.9 67.66 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -76.53 45.98 0.42 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.188 1.795 . . . . 0.0 112.568 173.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.19 1.24 84.47 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.163 1.364 . . . . 0.0 115.022 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -149.38 119.58 7.27 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.668 1.587 . . . . 0.0 110.373 -173.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -63.22 151.54 40.13 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.988 1.315 . . . . 0.0 113.078 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -105.2 17.98 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.31 1.444 . . . . 0.0 113.557 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 52.52 34.52 15.67 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.558 1.943 . . . . 0.0 113.447 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -149.95 152.21 34.61 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.191 1.396 . . . . 0.0 111.755 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -75.99 -33.16 59.72 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.307 1.043 . . . . 0.0 113.697 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.255 1.349 0 C-N-CA 128.344 2.658 . . . . 0.0 115.054 -177.612 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -143.8 26.1 1.58 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.945 1.698 . . . . 0.0 112.212 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -83.68 0.09 48.47 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.367 1.467 . . . . 0.0 113.808 -172.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -64.32 117.82 7.79 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.044 1.337 . . . . 0.0 112.411 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.3 p -141.43 53.31 1.53 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.634 1.573 . . . . 0.0 111.82 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 m -104.77 47.8 0.86 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.544 1.538 . . . . 0.0 112.435 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 p -136.51 71.94 58.27 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 125.962 1.705 . . . . 0.0 112.191 -175.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -74.33 68.16 5.19 Favored 'Trans proline' 0 CA--C 1.549 1.257 0 C-N-CA 125.123 3.882 . . . . 0.0 113.37 -175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -147.65 128.34 14.24 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.506 1.522 . . . . 0.0 111.582 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.49 -78.77 0.22 Allowed Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.892 1.234 . . . . 0.0 113.124 169.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 48.61 30.25 2.44 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.898 2.079 . . . . 0.0 115.556 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 161.59 7.81 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.107 1.763 . . . . 0.0 114.748 -176.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.07 -24.13 12.07 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.661 1.184 . . . . 0.0 113.452 173.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.53 30.37 0.63 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.875 1.67 . . . . 0.0 114.052 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -62.04 -15.61 45.86 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.69 -1.256 . . . . 0.0 114.277 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.76 -14.08 59.7 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.307 1.443 . . . . 0.0 114.028 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.92 -42.88 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.251 1.42 . . . . 0.0 111.03 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 mt -63.5 141.81 58.63 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.33 0.652 . . . . 0.0 111.077 170.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.26 125.12 28.62 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.468 1.107 . . . . 0.0 110.16 -176.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.71 139.31 32.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.125 1.37 . . . . 0.0 112.874 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -76.61 120.51 21.9 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.843 0.857 . . . . 0.0 109.903 166.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.6 p -66.79 -6.86 17.67 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -118.81 -14.06 9.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.076 1.35 . . . . 0.0 113.076 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.7 m -122.73 -22.2 5.41 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.649 1.179 . . . . 0.0 113.898 -175.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.16 -15.07 9.3 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.378 1.466 . . . . 0.0 116.007 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.2 tt -67.46 148.89 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.172 1.389 . . . . 0.0 111.825 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mp -112.4 134.08 54.14 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.599 1.56 . . . . 0.0 110.064 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.24 150.21 66.45 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.923 1.289 . . . . 0.0 110.661 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.52 -63.47 0.04 OUTLIER 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.1 2.533 . . . . 0.0 113.688 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -169.06 -59.24 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 125.251 1.42 . . . . 0.0 111.913 -176.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.48 -29.04 37.99 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.223 1.949 . . . . 0.0 113.437 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 mt -86.22 -29.22 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.379 1.072 . . . . 0.0 111.367 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -44.68 90.31 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.967 0.907 . . . . 0.0 110.695 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -55.81 -48.97 74.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.308 0.643 . . . . 0.0 111.833 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -61.53 -42.89 99.49 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.879 -0.513 . . . . 0.0 112.265 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -60.52 -43.83 96.69 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.332 0.515 . . . . 0.0 111.74 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -63.99 -41.13 97.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.265 1.026 . . . . 0.0 112.671 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -63.08 -36.98 85.39 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.817 0.735 . . . . 0.0 112.153 172.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -71.39 -43.96 65.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.489 0.716 . . . . 0.0 112.032 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 m -54.83 -48.03 73.36 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.383 1.073 . . . . 0.0 111.483 169.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -56.7 -49.49 74.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.269 1.028 . . . . 0.0 112.532 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -61.98 -47.2 85.87 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.999 0.52 . . . . 0.0 111.994 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.57 -48.72 79.66 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.338 0.655 . . . . 0.0 112.173 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.47 87.41 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -72.74 -36.05 67.66 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.667 0.787 . . . . 0.0 112.63 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.4 t -69.84 -44.34 70.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.256 1.022 . . . . 0.0 112.185 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -154.63 94.43 1.68 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.578 1.551 . . . . 0.0 112.613 -176.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.57 7.56 20.22 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.136 1.351 . . . . 0.0 114.576 176.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.79 -9.37 0.54 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.216 1.807 . . . . 0.0 115.138 -175.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -120.8 38.43 4.04 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.269 1.827 . . . . 0.0 110.529 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.6 m -71.11 16.62 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 127.196 2.198 . . . . 0.0 114.415 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -130.16 137.07 49.92 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.233 2.213 . . . . 0.0 109.749 -176.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.6 p30 -130.07 -12.86 4.09 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.46 1.504 . . . . 0.0 113.723 -176.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -143.86 141.82 30.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.653 1.981 . . . . 0.0 109.308 169.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.688 1.595 . . . . 0.0 113.451 -175.361 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.426 0 N-CA-C 111.416 -0.673 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -135.52 160.91 37.0 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.533 1.533 . . . . 0.0 110.953 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -142.82 107.23 4.78 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.363 1.065 . . . . 0.0 111.28 -173.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -82.32 79.39 8.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.848 1.259 . . . . 0.0 111.643 -176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -128.2 21.71 6.19 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.8 1.64 . . . . 0.0 112.661 -172.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 p -132.15 49.49 2.32 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.456 1.902 . . . . 0.0 112.497 -167.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m -128.74 157.3 75.76 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 126.084 1.753 . . . . 0.0 112.533 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.71 -17.12 29.75 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.586 2.857 . . . . 0.0 114.099 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -148.16 164.18 34.7 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.436 1.894 . . . . 0.0 111.196 176.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.71 153.79 16.95 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.096 0.855 . . . . 0.0 113.053 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -162.36 -179.7 7.19 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.515 1.926 . . . . 0.0 110.897 -177.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -137.81 139.21 39.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.509 1.124 . . . . 0.0 110.623 172.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.82 28.71 2.63 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.306 1.442 . . . . 0.0 112.324 -176.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.89 8.95 32.4 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.369 1.468 . . . . 0.0 113.813 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -73.8 61.21 0.75 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.613 1.965 . . . . 0.0 113.312 -176.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 53.43 28.55 7.67 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.656 1.982 . . . . 0.0 114.637 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -117.4 -27.52 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 126.368 1.867 . . . . 0.0 112.732 -175.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -138.17 161.45 36.8 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.445 1.898 . . . . 0.0 110.356 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -127.12 134.75 50.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.695 1.598 . . . . 0.0 109.734 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -107.27 145.61 32.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.459 1.504 . . . . 0.0 111.256 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.4 t -104.17 125.05 50.15 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.111 1.364 . . . . 0.0 110.555 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -64.79 -10.9 31.28 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.81 1.782 . . . . 0.0 115.81 -170.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -117.17 0.28 12.27 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.334 1.454 . . . . 0.0 113.353 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 m -128.49 -31.47 2.26 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -170.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.39 -19.28 3.11 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 125.653 1.597 . . . . 0.0 116.176 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 tp -62.97 153.07 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.465 1.506 . . . . 0.0 111.874 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.41 128.83 55.0 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.98 1.712 . . . . 0.0 109.783 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.21 146.09 48.16 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.048 1.339 . . . . 0.0 110.824 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -71.97 -69.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.064 2.509 . . . . 0.0 113.923 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.81 -56.15 0.01 OUTLIER Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.888 1.275 . . . . 0.0 112.925 -177.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -69.83 -36.11 11.22 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.71 1.607 . . . . 0.0 112.707 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.0 mt -74.47 -29.27 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.227 1.011 . . . . 0.0 110.987 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -57.52 -28.33 63.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.048 -1.032 . . . . 0.0 112.848 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -54.61 -45.83 73.74 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.814 0.845 . . . . 0.0 113.057 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -66.7 -35.56 80.41 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.497 0.589 . . . . 0.0 111.749 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -68.95 -42.26 76.91 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.381 0.673 . . . . 0.0 111.72 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -47.14 87.16 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.718 0.807 . . . . 0.0 111.492 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.78 -39.1 90.66 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -63.56 -50.42 69.56 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.154 0.888 . . . . 0.0 112.704 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.1 m -58.87 -44.6 91.14 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.865 0.757 . . . . 0.0 111.903 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -58.24 -49.86 75.6 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.614 0.766 . . . . 0.0 112.247 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -62.43 -46.7 87.37 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.923 0.489 . . . . 0.0 111.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.5 tp -65.51 -42.69 91.79 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.816 0.846 . . . . 0.0 112.4 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.78 85.38 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.724 -0.61 . . . . 0.0 112.388 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -69.84 -44.81 69.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.022 0.929 . . . . 0.0 112.734 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.4 p -71.85 -33.54 68.52 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -77.73 56.68 1.53 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.116 1.766 . . . . 0.0 111.928 173.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -52.12 90.83 0.01 OUTLIER Glycine 0 CA--C 1.538 1.472 0 C-N-CA 127.245 2.355 . . . . 0.0 114.495 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -69.83 166.66 18.92 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.034 1.734 . . . . 0.0 112.936 -175.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -123.55 14.38 9.49 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.667 1.587 . . . . 0.0 113.723 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.4 m -58.24 159.42 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.984 1.313 . . . . 0.0 113.077 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -56.99 136.83 56.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.863 1.265 . . . . 0.0 111.025 174.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -142.45 94.99 2.72 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.063 1.345 . . . . 0.0 109.999 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -148.49 145.31 27.87 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.683 1.193 . . . . 0.0 111.032 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.256 1.41 0 C-N-CA 125.675 1.59 . . . . 0.0 113.982 -175.932 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -137.17 152.4 49.87 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.492 1.517 . . . . 0.0 111.287 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.33 163.37 27.53 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.947 0.899 . . . . 0.0 112.917 174.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -139.47 171.7 13.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.922 1.689 . . . . 0.0 111.128 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 t -59.24 154.12 17.05 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.16 0.584 . . . . 0.0 112.212 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -145.61 120.38 9.89 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.831 1.253 . . . . 0.0 110.001 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -137.02 59.15 20.83 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 125.394 1.477 . . . . 0.0 111.408 -172.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -69.09 164.29 34.46 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.594 2.863 . . . . 0.0 113.009 -176.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -64.41 164.07 12.09 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.174 1.39 . . . . 0.0 112.379 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.92 179.1 24.13 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.25 0.929 . . . . 0.0 113.861 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.64 153.82 19.15 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.791 1.236 . . . . 0.0 113.336 176.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -137.07 124.85 22.5 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.851 1.26 . . . . 0.0 111.177 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.34 43.97 0.32 Allowed 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 126.561 1.944 . . . . 0.0 114.437 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.12 -70.06 0.76 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.175 0.99 . . . . 0.0 112.554 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.63 27.22 0.98 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.132 1.773 . . . . 0.0 115.191 -175.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -133.06 -59.55 0.88 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.158 1.383 . . . . 0.0 111.929 -177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -44.04 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.425 0.69 . . . . 0.0 111.722 174.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.53 150.54 43.66 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.515 0.726 . . . . 0.0 111.084 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -123.8 141.25 52.2 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.324 1.45 . . . . 0.0 109.305 171.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 ptt85 -120.3 157.64 28.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.88 1.272 . . . . 0.0 112.061 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 t -100.2 124.33 45.49 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.732 1.213 . . . . 0.0 109.797 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 m -65.6 -3.95 5.37 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.381 1.473 . . . . 0.0 114.371 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -121.53 -42.47 2.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.61 1.564 . . . . 0.0 111.803 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.6 m -86.44 -25.78 25.04 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -174.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.98 -17.37 7.25 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.429 1.49 . . . . 0.0 116.601 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.9 tt -64.45 158.09 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.828 1.651 . . . . 0.0 112.565 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.03 133.59 53.62 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.074 1.75 . . . . 0.0 110.505 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -129.45 152.03 78.91 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.646 1.579 . . . . 0.0 110.689 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.21 -70.08 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.03 2.487 . . . . 0.0 113.249 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.5 tp -163.02 -58.18 0.01 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.093 1.357 . . . . 0.0 112.273 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -71.57 -36.32 6.79 Favored 'Trans proline' 0 C--N 1.354 0.853 0 CA-C-N 122.146 1.802 . . . . 0.0 113.613 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.53 -24.32 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.368 -0.832 . . . . 0.0 111.932 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 tp -56.87 -27.87 61.05 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.021 -1.049 . . . . 0.0 112.427 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -54.17 -46.94 72.46 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.919 0.888 . . . . 0.0 112.466 173.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -62.15 -39.43 92.58 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.712 -0.618 . . . . 0.0 111.613 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -64.44 -45.64 86.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -59.87 -46.03 90.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 118.504 0.593 . . . . 0.0 111.581 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.49 -41.65 98.94 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.735 0.698 . . . . 0.0 112.324 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -65.95 -48.78 70.19 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.402 1.001 . . . . 0.0 112.955 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.62 -47.34 82.46 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.796 0.839 . . . . 0.0 111.193 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -63.1 -43.32 98.81 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.818 0.847 . . . . 0.0 112.78 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -62.77 -45.9 90.52 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.777 0.717 . . . . 0.0 112.023 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.06 -41.33 95.23 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.514 -0.741 . . . . 0.0 111.284 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.52 94.32 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.0 p -77.95 -27.46 49.28 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.389 0.995 . . . . 0.0 113.413 176.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -73.09 -23.75 60.57 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.204 1.402 . . . . 0.0 113.663 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -120.24 -168.76 1.68 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.467 1.907 . . . . 0.0 111.33 -176.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.34 107.51 3.4 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.769 1.176 . . . . 0.0 112.66 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -146.09 170.63 16.28 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.69 1.996 . . . . 0.0 111.885 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -69.77 84.14 0.46 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.153 1.381 . . . . 0.0 111.716 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -112.22 -166.63 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.406 1.882 . . . . 0.0 110.756 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -127.11 154.26 44.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.074 1.35 . . . . 0.0 111.138 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.21 -20.04 66.01 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -105.42 -9.52 17.48 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.686 1.594 . . . . 0.0 113.758 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.432 1.493 . . . . 0.0 112.182 -175.084 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.5 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 p -74.11 -27.56 60.93 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.0 168.47 24.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.319 1.448 . . . . 0.0 111.828 166.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -107.47 -56.54 2.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.292 1.037 . . . . 0.0 111.789 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -168.87 158.99 9.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.878 2.071 . . . . 0.0 109.914 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -155.06 83.75 1.08 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.01 1.324 . . . . 0.0 110.516 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.0 m -138.59 61.27 23.31 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 125.461 1.505 . . . . 0.0 112.017 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -65.87 159.99 46.19 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.401 2.734 . . . . 0.0 112.184 177.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -130.51 40.45 3.51 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.145 1.378 . . . . 0.0 113.013 -174.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.29 -66.53 0.58 Allowed Glycine 0 N--CA 1.469 0.888 0 C-N-CA 126.253 1.882 . . . . 0.0 111.805 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -84.53 135.95 34.01 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.338 1.055 . . . . 0.0 110.948 170.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -69.74 -48.88 57.85 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.002 0.921 . . . . 0.0 112.642 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 39.64 54.22 2.46 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.868 2.067 . . . . 0.0 114.777 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.23 33.28 1.71 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -171.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -66.09 18.29 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 126.353 1.861 . . . . 0.0 115.779 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 t0 52.3 39.75 27.81 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.424 1.889 . . . . 0.0 114.037 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.28 -44.24 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.386 1.875 . . . . 0.0 111.018 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.56 147.76 40.44 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.552 1.141 . . . . 0.0 110.9 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.4 131.74 50.25 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.206 1.402 . . . . 0.0 109.087 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -105.69 139.47 40.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 112.315 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.6 t -81.06 123.23 28.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.786 0.834 . . . . 0.0 110.422 173.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -64.53 -14.42 57.32 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -113.35 -35.97 5.13 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.572 1.149 . . . . 0.0 112.708 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.8 m -91.71 -21.8 20.55 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -174.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.01 -15.52 5.15 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.807 1.67 . . . . 0.0 116.122 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.48 153.89 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.701 1.6 . . . . 0.0 112.379 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 mp -116.58 133.71 55.69 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.934 1.694 . . . . 0.0 110.136 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -127.93 151.03 75.12 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.35 1.46 . . . . 0.0 110.303 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.91 -68.72 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.178 2.585 . . . . 0.0 113.22 -176.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.8 tp -161.39 -58.97 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.682 1.193 . . . . 0.0 113.064 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -69.21 -36.96 11.22 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 CA-C-N 121.866 1.702 . . . . 0.0 113.123 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.73 -27.95 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.547 0.739 . . . . 0.0 111.542 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.57 -43.48 84.58 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.328 -0.857 . . . . 0.0 111.235 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.92 -39.93 79.18 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.9 -42.95 94.31 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.746 -0.597 . . . . 0.0 112.096 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -60.5 -47.3 86.73 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.79 0.723 . . . . 0.0 110.833 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.74 -43.95 85.7 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.807 0.843 . . . . 0.0 112.27 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.52 -47.16 76.87 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -64.55 -46.89 80.88 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.285 0.948 . . . . 0.0 112.368 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.32 -44.22 97.01 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.449 1.5 . . . . 0.0 110.556 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.86 -45.74 92.49 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.306 1.042 . . . . 0.0 112.701 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -58.61 -48.26 81.58 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.78 0.718 . . . . 0.0 111.494 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.21 -44.14 92.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.772 0.829 . . . . 0.0 112.26 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.54 72.15 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.54 -0.725 . . . . 0.0 112.939 175.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -77.24 -46.85 21.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.371 1.068 . . . . 0.0 112.691 176.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.7 p -75.76 -27.83 58.23 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -136.41 57.72 1.76 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.973 2.109 . . . . 0.0 110.846 -176.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.93 34.23 0.39 Allowed Glycine 0 CA--C 1.542 1.722 0 C-N-CA 126.293 1.901 . . . . 0.0 116.046 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -64.44 159.99 20.17 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.102 1.761 . . . . 0.0 112.372 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -135.52 60.46 1.69 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.275 1.43 . . . . 0.0 111.245 -173.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.1 m -66.37 -10.75 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -62.9 125.26 23.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.207 1.803 . . . . 0.0 111.538 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -82.19 -58.38 2.98 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.075 0.55 . . . . 0.0 112.201 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -160.15 163.12 33.97 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.618 1.567 . . . . 0.0 111.83 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.737 1.615 . . . . 0.0 113.563 -179.751 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 CA--C 1.543 0.677 0 CA-C-O 121.216 0.531 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -126.65 143.76 51.13 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.515 1.526 . . . . 0.0 109.786 173.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -124.65 155.13 39.69 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.725 1.61 . . . . 0.0 111.817 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -113.74 117.19 30.81 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.99 1.316 . . . . 0.0 110.273 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -60.77 -14.27 20.34 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.48 1.512 . . . . 0.0 114.439 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -115.26 -2.13 12.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.128 1.371 . . . . 0.0 114.043 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.9 m -128.13 -27.45 2.73 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.66 -3.41 34.55 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.308 1.432 . . . . 0.0 116.554 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -77.38 156.24 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.526 1.531 . . . . 0.0 111.683 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.48 130.67 53.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.508 1.523 . . . . 0.0 110.691 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.07 150.86 73.24 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.53 1.532 . . . . 0.0 110.644 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.35 -67.32 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.999 2.466 . . . . 0.0 113.332 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.9 tp -166.51 -57.09 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.487 1.515 . . . . 0.0 112.414 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -72.27 -36.52 5.43 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 CA-C-N 121.992 1.747 . . . . 0.0 113.563 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.31 -25.82 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 118.864 0.757 . . . . 0.0 111.739 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.9 tp -56.24 -31.14 63.27 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.212 -0.93 . . . . 0.0 112.287 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -56.52 -43.58 79.92 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.219 0.918 . . . . 0.0 112.473 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -63.64 -41.59 98.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.995 0.518 . . . . 0.0 111.607 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -62.76 -49.19 75.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 119.177 -0.439 . . . . 0.0 111.283 174.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -54.45 -45.78 73.17 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.958 0.903 . . . . 0.0 112.05 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.95 -47.81 76.32 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.183 0.901 . . . . 0.0 113.008 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -45.72 67.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.496 0.718 . . . . 0.0 112.465 -176.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.9 t -62.92 -41.86 99.61 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.041 1.737 . . . . 0.0 110.875 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -59.89 -47.64 84.94 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.533 1.133 . . . . 0.0 112.491 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -60.64 -46.47 90.17 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.572 0.624 . . . . 0.0 111.539 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.1 mt -59.5 -50.82 72.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.52 0.728 . . . . 0.0 112.666 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.2 -36.9 81.14 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.904 0.775 . . . . 0.0 112.987 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 t -69.0 -42.86 75.89 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.459 1.103 . . . . 0.0 112.348 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 124.842 1.257 . . . . 0.0 113.311 177.553 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 mt . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 121.262 0.553 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.13 137.28 46.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.368 1.467 . . . . 0.0 109.856 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.56 154.34 24.95 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.336 1.454 . . . . 0.0 112.654 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t -104.91 118.18 35.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.373 1.469 . . . . 0.0 110.079 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -61.98 -15.81 46.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.075 1.35 . . . . 0.0 114.079 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -113.68 -4.84 13.38 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.08 1.352 . . . . 0.0 113.841 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.0 m -128.72 -25.71 2.81 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.59 -7.5 25.47 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.13 1.348 . . . . 0.0 116.173 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.7 tt -66.57 155.19 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.345 1.458 . . . . 0.0 111.948 173.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mp -120.77 131.69 54.63 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.594 1.558 . . . . 0.0 109.627 171.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.89 151.78 69.02 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.284 1.434 . . . . 0.0 110.309 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.19 -70.91 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.038 2.492 . . . . 0.0 113.214 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -167.22 -55.56 0.01 OUTLIER Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 124.92 1.288 . . . . 0.0 112.697 -177.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -70.29 -35.63 10.76 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.849 1.7 . . . . 0.0 112.677 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.4 mt -74.79 -29.36 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.376 1.07 . . . . 0.0 111.096 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.11 -35.23 69.2 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.361 -0.837 . . . . 0.0 112.231 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -57.11 -39.64 75.49 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 118.811 0.732 . . . . 0.0 112.758 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -66.94 -46.21 75.44 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.491 0.717 . . . . 0.0 111.738 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -62.52 -46.25 89.25 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.675 0.671 . . . . 0.0 110.852 175.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -56.09 -51.37 68.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.376 1.07 . . . . 0.0 111.934 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.3 -41.05 86.01 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.983 0.811 . . . . 0.0 112.963 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -48.55 63.14 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.763 0.71 . . . . 0.0 112.315 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.6 t -60.93 -46.86 89.0 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.284 1.834 . . . . 0.0 111.002 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -47.38 84.31 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.751 1.22 . . . . 0.0 112.233 172.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -61.62 -49.12 77.84 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.545 0.612 . . . . 0.0 111.934 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -44.52 96.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.774 0.829 . . . . 0.0 111.19 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -47.47 85.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.747 0.819 . . . . 0.0 112.384 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -62.98 -43.77 97.88 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.706 1.202 . . . . 0.0 112.674 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 176.147 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 120.689 0.28 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.29 136.28 49.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.271 1.428 . . . . 0.0 108.725 174.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -120.42 142.27 49.37 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.163 1.385 . . . . 0.0 112.191 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.0 t -85.54 124.08 31.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.866 0.866 . . . . 0.0 110.242 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -64.27 -15.45 60.14 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.247 1.019 . . . . 0.0 113.597 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -114.19 -30.63 6.58 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.708 1.203 . . . . 0.0 113.137 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.6 m -98.82 -22.42 15.84 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.87 -12.76 10.23 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.33 1.443 . . . . 0.0 116.559 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -67.18 154.93 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.015 1.326 . . . . 0.0 111.938 173.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.75 131.46 55.37 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.452 1.501 . . . . 0.0 109.269 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -124.93 150.02 64.91 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.108 1.363 . . . . 0.0 110.505 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -71.5 -69.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 123.162 2.575 . . . . 0.0 113.37 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.03 -54.87 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.759 1.224 . . . . 0.0 112.883 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.28 -39.01 1.24 Allowed 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.835 1.69 . . . . 0.0 112.879 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.3 mt -66.4 -29.25 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.042 0.937 . . . . 0.0 111.077 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.9 tp -55.66 -31.44 62.37 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.194 0.997 . . . . 0.0 112.633 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -56.35 -41.95 76.95 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.226 0.921 . . . . 0.0 112.315 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -64.62 -39.68 94.14 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.736 0.815 . . . . 0.0 112.059 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -64.4 -45.31 88.2 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.689 -0.632 . . . . 0.0 111.28 173.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.28 -45.29 84.24 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.083 0.856 . . . . 0.0 111.932 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.29 -40.53 77.67 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.178 0.899 . . . . 0.0 113.397 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -68.23 -49.29 61.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.956 1.253 . . . . 0.0 112.558 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -43.33 99.07 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.252 1.421 . . . . 0.0 109.952 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -59.01 -50.69 73.12 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.885 1.274 . . . . 0.0 112.609 169.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -59.5 -46.04 89.98 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.979 0.809 . . . . 0.0 111.847 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -46.39 78.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.246 0.619 . . . . 0.0 111.229 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.4 -32.41 73.24 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.2 t -75.73 -38.49 58.43 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.419 1.088 . . . . 0.0 112.19 173.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.336 1.455 . . . . 0.0 113.243 177.038 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -131.28 137.34 48.8 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.334 1.454 . . . . 0.0 109.777 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -99.11 151.54 20.85 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.774 1.23 . . . . 0.0 111.962 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.9 t -98.27 120.0 37.92 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.848 1.259 . . . . 0.0 109.91 173.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.0 p -68.2 -6.38 23.2 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.041 1.337 . . . . 0.0 114.556 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -121.17 -5.58 9.45 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.454 1.501 . . . . 0.0 113.315 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.9 m -130.2 -25.78 2.43 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.823 1.249 . . . . 0.0 113.757 -173.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.24 -8.1 33.94 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.079 1.323 . . . . 0.0 116.147 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.2 tt -68.57 155.39 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.386 1.474 . . . . 0.0 111.972 173.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mp -123.11 130.52 52.88 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.656 1.582 . . . . 0.0 110.176 172.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.73 151.98 76.26 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.561 1.544 . . . . 0.0 110.115 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.11 -69.29 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 122.793 2.329 . . . . 0.0 113.689 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.75 -56.36 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.958 1.303 . . . . 0.0 112.623 -176.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.44 -37.08 1.47 Allowed 'Trans proline' 0 C--N 1.355 0.905 0 CA-C-N 121.657 1.628 . . . . 0.0 113.612 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -69.35 -26.79 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 121.012 -1.055 . . . . 0.0 111.177 174.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.6 tp -57.49 -29.63 64.45 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 118.124 -0.941 . . . . 0.0 112.418 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -59.5 -39.4 83.66 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 120.343 1.429 . . . . 0.0 112.611 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.32 -45.7 79.39 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.242 0.617 . . . . 0.0 111.48 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -63.35 -45.64 90.27 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 118.395 0.543 . . . . 0.0 110.855 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -56.34 -49.96 72.87 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.529 1.132 . . . . 0.0 112.032 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.06 -41.07 95.47 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.601 1.091 . . . . 0.0 112.944 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -71.43 -48.43 49.61 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.592 0.757 . . . . 0.0 111.716 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.61 -44.56 96.15 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.701 2.001 . . . . 0.0 111.07 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -48.78 79.77 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.596 1.159 . . . . 0.0 112.312 172.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -62.84 -41.9 99.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.491 0.587 . . . . 0.0 112.247 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.31 -48.3 80.46 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.521 -0.737 . . . . 0.0 111.445 171.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.47 77.32 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.58 1.082 . . . . 0.0 113.597 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.4 p -76.23 -31.12 58.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.476 0.866 0 C-N-CA 124.573 1.149 . . . . 0.0 114.019 175.921 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 mt . . . . . 0 CA--C 1.542 0.66 0 CA-C-O 121.994 0.902 . . . . 0.0 112.928 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -131.68 148.76 52.61 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.33 1.852 . . . . 0.0 109.586 171.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -127.9 140.17 52.17 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.83 1.252 . . . . 0.0 111.405 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -79.59 116.66 19.92 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 122.873 0.469 . . . . 0.0 110.036 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 t -64.05 -8.87 13.17 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.398 1.079 . . . . 0.0 113.628 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -116.72 -16.41 10.67 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.067 1.347 . . . . 0.0 113.388 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.6 m -121.33 -18.53 7.31 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.578 1.151 . . . . 0.0 114.038 -175.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.54 -13.61 8.0 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.261 1.41 . . . . 0.0 116.228 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 tt -64.56 156.02 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.483 1.513 . . . . 0.0 112.304 174.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.95 135.27 53.55 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.531 1.532 . . . . 0.0 110.689 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -128.95 153.23 80.16 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.818 1.647 . . . . 0.0 110.282 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.73 -72.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.014 2.476 . . . . 0.0 112.948 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mt -159.27 -54.39 0.01 OUTLIER Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.607 1.163 . . . . 0.0 113.628 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -75.67 -38.38 1.35 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 CA-C-N 121.783 1.673 . . . . 0.0 113.499 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.27 -25.64 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.283 -0.886 . . . . 0.0 111.64 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.0 tp -54.9 -35.17 63.85 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.207 -0.933 . . . . 0.0 112.287 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.85 -38.89 79.74 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.7 0.8 . . . . 0.0 112.727 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.35 -44.1 84.19 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.634 0.773 . . . . 0.0 111.542 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.65 -47.82 79.74 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.464 0.575 . . . . 0.0 110.882 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -52.66 -54.06 38.66 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.16 0.984 . . . . 0.0 112.217 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.37 -39.41 94.45 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.75 1.159 . . . . 0.0 113.277 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -73.12 -46.91 48.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.652 0.66 . . . . 0.0 111.603 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.9 t -61.39 -44.56 96.94 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.982 1.713 . . . . 0.0 111.056 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -61.65 -48.08 82.45 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.376 1.07 . . . . 0.0 112.499 172.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -60.43 -45.39 93.8 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.598 0.636 . . . . 0.0 112.07 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.41 -49.94 71.8 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.424 1.09 . . . . 0.0 111.161 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.56 87.87 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.8 t -66.99 -42.15 85.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.142 0.977 . . . . 0.0 112.246 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.474 0.748 0 C-N-CA 124.207 1.003 . . . . 0.0 113.053 177.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -132.27 136.36 46.89 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.404 1.482 . . . . 0.0 109.551 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -112.56 151.29 30.19 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.534 1.533 . . . . 0.0 111.655 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 t -111.0 114.43 27.73 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.271 1.028 . . . . 0.0 110.4 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 p -61.49 -8.61 4.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.84 1.656 . . . . 0.0 114.989 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -114.63 -3.22 12.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.641 1.576 . . . . 0.0 112.956 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 m -133.46 -31.06 1.24 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -172.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.68 12.43 84.49 Favored Glycine 0 CA--C 1.542 1.745 0 N-CA-C 116.224 1.249 . . . . 0.0 116.224 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 tt -103.28 156.34 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.814 1.646 . . . . 0.0 110.937 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.1 128.28 48.21 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.374 1.47 . . . . 0.0 110.326 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -126.25 151.7 72.56 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 125.328 1.451 . . . . 0.0 110.27 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.65 -75.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.842 2.361 . . . . 0.0 112.951 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mt -159.39 -50.27 0.01 OUTLIER Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.414 1.485 . . . . 0.0 113.558 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -78.02 -41.16 0.31 Allowed 'Trans proline' 0 CA--C 1.541 0.83 0 CA-C-N 121.443 1.551 . . . . 0.0 113.632 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.86 -25.42 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 121.107 -0.995 . . . . 0.0 111.75 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.57 -26.17 42.13 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.542 1.137 . . . . 0.0 112.716 171.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -57.82 -44.99 86.77 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.293 0.951 . . . . 0.0 112.547 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -63.51 -40.34 96.8 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.763 -0.585 . . . . 0.0 111.318 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -61.43 -49.49 76.64 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.172 174.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -55.78 -43.87 77.19 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.472 0.709 . . . . 0.0 112.368 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -65.11 -47.64 76.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.341 0.973 . . . . 0.0 112.988 175.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -68.38 -47.94 66.05 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.73 0.696 . . . . 0.0 111.989 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 t -61.41 -43.23 99.23 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.124 1.769 . . . . 0.0 111.009 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -62.24 -47.41 84.48 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.287 1.035 . . . . 0.0 112.403 171.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -58.49 -45.98 87.61 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.757 0.708 . . . . 0.0 111.597 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -51.84 67.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.271 1.028 . . . . 0.0 110.859 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.48 85.42 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -69.68 -41.99 74.72 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.16 0.984 . . . . 0.0 112.435 176.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 124.924 1.289 . . . . 0.0 112.559 176.757 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 121.643 0.735 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -123.12 149.04 45.02 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.926 1.69 . . . . 0.0 110.09 171.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -131.77 165.88 22.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.188 1.795 . . . . 0.0 110.911 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -134.82 115.14 13.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.466 1.106 . . . . 0.0 110.18 -172.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -62.93 -4.83 2.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.392 1.877 . . . . 0.0 115.466 -173.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -125.06 4.81 7.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.508 1.523 . . . . 0.0 113.541 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' HG ' ' HE2' ' A' ' 36' ' ' HIS . 33.3 m -127.47 -32.49 2.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.005 1.322 . . . . 0.0 113.468 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.72 -14.12 14.7 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.464 1.506 . . . . 0.0 116.317 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -74.35 156.66 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.591 1.556 . . . . 0.0 112.385 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.33 137.5 54.67 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.342 1.457 . . . . 0.0 110.674 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -130.22 152.49 80.23 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.92 1.688 . . . . 0.0 110.35 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -74.05 -70.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.833 2.355 . . . . 0.0 113.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -162.94 -55.84 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.921 1.288 . . . . 0.0 113.344 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.27 -33.15 3.57 Favored 'Trans proline' 0 C--N 1.355 0.875 0 CA-C-N 121.827 1.688 . . . . 0.0 113.822 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.14 -25.76 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 121.102 -0.998 . . . . 0.0 111.242 173.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.7 tp -58.16 -25.44 61.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.584 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -53.92 -44.73 70.82 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.615 1.552 . . . . 0.0 113.09 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -63.65 -40.53 97.09 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.34 0.656 . . . . 0.0 111.713 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.409 ' HE2' ' HG ' ' A' ' 24' ' ' CYS . 10.0 t60 -65.89 -43.73 87.39 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.875 -0.516 . . . . 0.0 112.045 176.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -48.29 80.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.737 1.215 . . . . 0.0 111.14 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.72 -36.13 82.71 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.631 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -64.95 -53.35 47.74 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.03 1.286 . . . . 0.0 112.857 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 m -59.64 -42.33 92.51 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.235 0.614 . . . . 0.0 111.212 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.74 -46.17 89.31 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.145 0.978 . . . . 0.0 112.239 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -58.51 -45.91 87.82 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.415 1.086 . . . . 0.0 112.573 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.65 -44.15 82.68 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 118.846 -0.597 . . . . 0.0 112.078 173.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.59 98.8 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.145 0.884 . . . . 0.0 113.236 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.8 p -73.83 -35.47 64.83 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.415 0.686 . . . . 0.0 112.826 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.476 0.838 0 C-N-CA 123.464 0.706 . . . . 0.0 112.81 174.359 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 CA--C 1.542 0.66 0 CA-C-O 121.038 0.447 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -118.32 134.83 54.71 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.539 1.136 . . . . 0.0 110.218 173.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -106.31 147.47 29.14 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.446 1.899 . . . . 0.0 109.966 -176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.1 t -112.95 110.56 20.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.921 1.288 . . . . 0.0 109.466 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -63.33 -3.46 1.97 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.209 1.404 . . . . 0.0 114.513 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -122.51 -6.04 8.71 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.944 1.698 . . . . 0.0 113.334 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.3 m -132.07 -28.36 1.74 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.086 1.354 . . . . 0.0 113.874 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.54 -8.62 33.26 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.545 1.545 . . . . 0.0 116.148 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.44 158.71 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.705 1.602 . . . . 0.0 112.863 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mp -127.91 128.22 44.75 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.514 1.526 . . . . 0.0 110.752 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -128.49 150.89 75.71 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 125.678 1.591 . . . . 0.0 110.324 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -72.47 -63.97 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.13 2.554 . . . . 0.0 113.481 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.3 tp -169.13 -58.8 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.703 1.601 . . . . 0.0 112.016 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.08 -38.6 3.73 Favored 'Trans proline' 0 C--N 1.354 0.84 0 CA-C-N 121.783 1.672 . . . . 0.0 113.38 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -69.02 -27.02 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.962 0.801 . . . . 0.0 111.615 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.39 -30.48 64.94 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.238 -0.913 . . . . 0.0 112.184 173.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -57.1 -39.55 75.27 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.838 1.199 . . . . 0.0 112.54 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -69.14 -44.74 71.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.574 0.75 . . . . 0.0 112.191 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -62.09 -45.81 91.86 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.847 0.749 . . . . 0.0 110.777 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -55.87 -52.41 64.14 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.006 1.323 . . . . 0.0 111.688 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.09 -38.95 93.24 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.618 1.099 . . . . 0.0 113.268 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -46.84 43.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.757 0.823 . . . . 0.0 111.872 -177.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -60.96 -45.26 95.46 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.894 2.078 . . . . 0.0 110.735 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -57.58 -51.52 69.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.47 1.108 . . . . 0.0 112.362 170.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -62.33 -44.91 95.39 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.467 0.576 . . . . 0.0 111.883 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.33 -44.54 87.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.848 0.859 . . . . 0.0 112.43 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.11 75.88 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.799 0.84 . . . . 0.0 112.822 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.4 t -67.11 -41.78 85.64 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.055 0.942 . . . . 0.0 111.974 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 124.884 1.274 . . . . 0.0 113.814 176.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 CA--C 1.543 0.701 0 CA-C-O 120.542 0.211 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -112.98 143.12 44.82 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.06 1.744 . . . . 0.0 109.347 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -129.8 121.45 26.82 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.616 1.166 . . . . 0.0 111.928 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 t -78.1 121.22 24.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.195 1.398 . . . . 0.0 111.783 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -67.33 -6.57 19.35 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -122.28 -5.56 8.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.267 1.427 . . . . 0.0 113.193 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.4 m -129.83 -24.52 2.67 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.667 1.187 . . . . 0.0 113.846 -174.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.48 -11.03 19.95 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.177 1.37 . . . . 0.0 116.338 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 tp -68.92 149.49 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.71 1.604 . . . . 0.0 112.596 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -114.54 127.15 55.65 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.649 1.58 . . . . 0.0 110.038 173.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -126.88 146.05 56.01 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.84 1.256 . . . . 0.0 110.923 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.81 -66.09 0.03 OUTLIER 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.277 2.651 . . . . 0.0 113.727 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.1 tp -169.73 -58.41 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.749 1.62 . . . . 0.0 111.852 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.95 -32.28 29.03 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.712 1.608 . . . . 0.0 112.911 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.8 mt -80.28 -29.57 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.543 1.137 . . . . 0.0 111.195 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 tp -57.39 -34.41 68.84 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.873 0.869 . . . . 0.0 112.135 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -56.01 -38.73 70.9 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.843 0.857 . . . . 0.0 112.851 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -71.49 -42.63 67.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.698 0.799 . . . . 0.0 112.418 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -63.65 -44.9 92.48 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.936 0.789 . . . . 0.0 110.803 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -56.46 -50.33 72.02 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.403 1.081 . . . . 0.0 111.994 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -65.2 -39.85 93.37 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.228 0.922 . . . . 0.0 113.135 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -67.56 -50.39 58.7 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.456 1.026 . . . . 0.0 112.468 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.24 -44.71 95.94 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.001 1.721 . . . . 0.0 110.377 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -62.6 -46.61 87.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.864 1.266 . . . . 0.0 112.892 172.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -60.45 -45.86 92.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.814 0.734 . . . . 0.0 111.683 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 tp -63.49 -45.42 90.81 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.415 0.686 . . . . 0.0 111.71 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.81 84.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 t -72.89 -41.03 65.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.261 1.024 . . . . 0.0 112.461 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.472 0.644 0 C-N-CA 125.476 1.51 . . . . 0.0 113.139 176.857 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.1 mt . . . . . 0 CA--C 1.546 0.805 0 CA-C-O 121.706 0.765 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -127.78 145.3 50.96 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.311 1.445 . . . . 0.0 109.893 169.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.92 156.73 37.5 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.371 1.869 . . . . 0.0 110.415 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -129.88 113.7 14.96 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.083 1.353 . . . . 0.0 110.36 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 m -63.64 -4.66 3.15 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.916 1.686 . . . . 0.0 114.939 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -111.37 -5.56 14.62 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.625 1.57 . . . . 0.0 112.746 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.8 m -131.48 -36.89 1.24 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.755 1.222 . . . . 0.0 113.8 -170.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.75 -9.59 59.05 Favored Glycine 0 CA--C 1.543 1.827 0 C-N-CA 125.465 1.507 . . . . 0.0 116.55 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -76.27 160.87 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.539 1.535 . . . . 0.0 112.31 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.5 133.25 51.21 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.772 1.629 . . . . 0.0 110.933 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -128.6 150.33 74.35 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 125.498 1.519 . . . . 0.0 110.702 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -70.82 -68.38 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.193 2.595 . . . . 0.0 113.651 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 tp -167.95 -56.94 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.5 1.52 . . . . 0.0 111.882 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.06 -38.4 3.94 Favored 'Trans proline' 0 C--N 1.353 0.765 0 CA-C-N 121.647 1.624 . . . . 0.0 112.856 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mt -69.58 -25.64 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.074 0.95 . . . . 0.0 111.284 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.98 -26.6 60.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.16 0.984 . . . . 0.0 112.631 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -56.29 -43.36 78.79 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.79 1.177 . . . . 0.0 112.206 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -61.02 -41.72 97.1 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.829 -0.544 . . . . 0.0 111.428 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -59.57 -50.63 73.15 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.889 -0.577 . . . . 0.0 111.357 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -57.78 -43.52 85.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.941 0.791 . . . . 0.0 112.247 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -67.05 -44.38 80.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.399 0.999 . . . . 0.0 112.787 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -50.06 50.09 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.542 -0.724 . . . . 0.0 111.652 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.46 -40.88 92.8 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.118 1.767 . . . . 0.0 110.949 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -61.07 -50.09 74.68 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.389 1.076 . . . . 0.0 112.372 171.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -60.08 -43.05 95.76 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.773 0.715 . . . . 0.0 111.894 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.93 -48.32 77.02 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.317 1.047 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.7 78.46 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 t -68.1 -42.1 80.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.173 0.989 . . . . 0.0 112.249 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.047 1.339 . . . . 0.0 112.945 175.48 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 121.123 0.487 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -130.76 144.67 51.61 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.106 1.362 . . . . 0.0 109.229 167.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.44 133.72 55.56 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.412 1.485 . . . . 0.0 110.048 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -92.94 115.46 28.15 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.347 1.059 . . . . 0.0 110.624 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.3 p -62.93 -7.03 4.41 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -128.78 2.82 5.42 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.65 1.58 . . . . 0.0 113.977 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.2 m -130.03 -28.35 2.18 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.846 1.258 . . . . 0.0 113.62 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.56 -5.62 36.17 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.3 1.429 . . . . 0.0 116.074 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -68.19 156.57 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.254 1.422 . . . . 0.0 111.773 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -123.25 126.48 47.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.52 1.528 . . . . 0.0 110.037 173.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -122.93 148.5 54.17 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.897 1.279 . . . . 0.0 110.131 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.36 -76.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.103 2.535 . . . . 0.0 112.936 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mt -161.56 -56.34 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 125.648 1.579 . . . . 0.0 112.208 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.24 -1.79 11.73 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 123.387 2.725 . . . . 0.0 114.898 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.6 mt -114.04 -25.07 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.676 1.59 . . . . 0.0 110.494 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 tp -56.31 -41.27 75.71 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.285 1.034 . . . . 0.0 112.122 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -55.03 -43.72 73.98 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -66.02 -40.75 91.33 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.028 0.831 . . . . 0.0 112.031 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -61.82 -48.37 80.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.666 0.666 . . . . 0.0 110.871 170.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -60.63 -39.42 88.18 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.224 1.01 . . . . 0.0 112.967 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -64.82 -47.36 78.29 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.356 0.98 . . . . 0.0 112.596 172.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -66.27 -46.04 78.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.645 0.778 . . . . 0.0 112.805 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.1 t -60.54 -45.21 94.7 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.355 1.862 . . . . 0.0 110.258 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -64.11 -43.13 96.28 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.214 1.006 . . . . 0.0 112.928 172.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -58.71 -49.29 78.14 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.347 0.976 . . . . 0.0 111.297 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.99 -48.72 80.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.328 0.651 . . . . 0.0 111.569 177.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.04 85.61 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -67.48 -45.21 76.55 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.483 1.113 . . . . 0.0 112.103 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 176.409 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 CA--C 1.543 0.689 0 CA-C-O 120.357 0.122 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.26 125.12 28.62 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.468 1.107 . . . . 0.0 110.16 -176.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.71 139.31 32.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.125 1.37 . . . . 0.0 112.874 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -76.61 120.51 21.9 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.843 0.857 . . . . 0.0 109.903 166.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.6 p -66.79 -6.86 17.67 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -118.81 -14.06 9.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.076 1.35 . . . . 0.0 113.076 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.456 ' HG ' ' HE2' ' A' ' 36' ' ' HIS . 24.7 m -122.73 -22.2 5.41 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.649 1.179 . . . . 0.0 113.898 -175.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.16 -15.07 9.3 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.378 1.466 . . . . 0.0 116.007 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.2 tt -67.46 148.89 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.172 1.389 . . . . 0.0 111.825 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mp -112.4 134.08 54.14 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.599 1.56 . . . . 0.0 110.064 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.24 150.21 66.45 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.923 1.289 . . . . 0.0 110.661 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.52 -63.47 0.04 OUTLIER 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.1 2.533 . . . . 0.0 113.688 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -169.06 -59.24 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 125.251 1.42 . . . . 0.0 111.913 -176.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.48 -29.04 37.99 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.223 1.949 . . . . 0.0 113.437 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 mt -86.22 -29.22 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.379 1.072 . . . . 0.0 111.367 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -44.68 90.31 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.967 0.907 . . . . 0.0 110.695 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -55.81 -48.97 74.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.308 0.643 . . . . 0.0 111.833 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -61.53 -42.89 99.49 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.879 -0.513 . . . . 0.0 112.265 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.456 ' HE2' ' HG ' ' A' ' 24' ' ' CYS . 50.1 t60 -60.52 -43.83 96.69 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.332 0.515 . . . . 0.0 111.74 174.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -63.99 -41.13 97.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.265 1.026 . . . . 0.0 112.671 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -63.08 -36.98 85.39 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.817 0.735 . . . . 0.0 112.153 172.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -71.39 -43.96 65.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.489 0.716 . . . . 0.0 112.032 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 m -54.83 -48.03 73.36 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.383 1.073 . . . . 0.0 111.483 169.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -56.7 -49.49 74.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.269 1.028 . . . . 0.0 112.532 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -61.98 -47.2 85.87 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.999 0.52 . . . . 0.0 111.994 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.57 -48.72 79.66 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.338 0.655 . . . . 0.0 112.173 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.47 87.41 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -72.74 -36.05 67.66 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.667 0.787 . . . . 0.0 112.63 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 124.256 1.022 . . . . 0.0 112.185 175.081 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -127.12 134.75 50.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.695 1.598 . . . . 0.0 109.734 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -107.27 145.61 32.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.459 1.504 . . . . 0.0 111.256 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.4 t -104.17 125.05 50.15 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.111 1.364 . . . . 0.0 110.555 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -64.79 -10.9 31.28 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.81 1.782 . . . . 0.0 115.81 -170.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -117.17 0.28 12.27 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.334 1.454 . . . . 0.0 113.353 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 m -128.49 -31.47 2.26 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -170.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.39 -19.28 3.11 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 125.653 1.597 . . . . 0.0 116.176 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 tp -62.97 153.07 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.465 1.506 . . . . 0.0 111.874 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.41 128.83 55.0 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.98 1.712 . . . . 0.0 109.783 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.21 146.09 48.16 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.048 1.339 . . . . 0.0 110.824 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -71.97 -69.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.064 2.509 . . . . 0.0 113.923 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.81 -56.15 0.01 OUTLIER Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.888 1.275 . . . . 0.0 112.925 -177.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -69.83 -36.11 11.22 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.71 1.607 . . . . 0.0 112.707 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.0 mt -74.47 -29.27 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.227 1.011 . . . . 0.0 110.987 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -57.52 -28.33 63.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.048 -1.032 . . . . 0.0 112.848 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -54.61 -45.83 73.74 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.814 0.845 . . . . 0.0 113.057 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -66.7 -35.56 80.41 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.497 0.589 . . . . 0.0 111.749 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -68.95 -42.26 76.91 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.381 0.673 . . . . 0.0 111.72 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -47.14 87.16 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.718 0.807 . . . . 0.0 111.492 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.78 -39.1 90.66 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -63.56 -50.42 69.56 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.154 0.888 . . . . 0.0 112.704 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.1 m -58.87 -44.6 91.14 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.865 0.757 . . . . 0.0 111.903 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -58.24 -49.86 75.6 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.614 0.766 . . . . 0.0 112.247 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -62.43 -46.7 87.37 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.923 0.489 . . . . 0.0 111.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.5 tp -65.51 -42.69 91.79 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.816 0.846 . . . . 0.0 112.4 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.78 85.38 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.724 -0.61 . . . . 0.0 112.388 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -69.84 -44.81 69.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.022 0.929 . . . . 0.0 112.734 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 121.051 0.453 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -123.8 141.25 52.2 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.324 1.45 . . . . 0.0 109.305 171.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 ptt85 -120.3 157.64 28.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.88 1.272 . . . . 0.0 112.061 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 t -100.2 124.33 45.49 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.732 1.213 . . . . 0.0 109.797 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 m -65.6 -3.95 5.37 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.381 1.473 . . . . 0.0 114.371 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -121.53 -42.47 2.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.61 1.564 . . . . 0.0 111.803 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.6 m -86.44 -25.78 25.04 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -174.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.98 -17.37 7.25 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.429 1.49 . . . . 0.0 116.601 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.9 tt -64.45 158.09 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.828 1.651 . . . . 0.0 112.565 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.03 133.59 53.62 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.074 1.75 . . . . 0.0 110.505 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -129.45 152.03 78.91 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.646 1.579 . . . . 0.0 110.689 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.21 -70.08 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.03 2.487 . . . . 0.0 113.249 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.5 tp -163.02 -58.18 0.01 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.093 1.357 . . . . 0.0 112.273 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -71.57 -36.32 6.79 Favored 'Trans proline' 0 C--N 1.354 0.853 0 CA-C-N 122.146 1.802 . . . . 0.0 113.613 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.53 -24.32 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.368 -0.832 . . . . 0.0 111.932 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 tp -56.87 -27.87 61.05 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.021 -1.049 . . . . 0.0 112.427 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -54.17 -46.94 72.46 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.919 0.888 . . . . 0.0 112.466 173.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -62.15 -39.43 92.58 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.712 -0.618 . . . . 0.0 111.613 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -64.44 -45.64 86.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -59.87 -46.03 90.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 118.504 0.593 . . . . 0.0 111.581 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.49 -41.65 98.94 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.735 0.698 . . . . 0.0 112.324 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -65.95 -48.78 70.19 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.402 1.001 . . . . 0.0 112.955 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.62 -47.34 82.46 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.796 0.839 . . . . 0.0 111.193 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -63.1 -43.32 98.81 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.818 0.847 . . . . 0.0 112.78 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -62.77 -45.9 90.52 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.777 0.717 . . . . 0.0 112.023 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.06 -41.33 95.23 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.514 -0.741 . . . . 0.0 111.284 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.52 94.32 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.0 p -77.95 -27.46 49.28 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.389 0.995 . . . . 0.0 113.413 176.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.475 0.817 0 C-N-CA 125.204 1.402 . . . . 0.0 113.663 173.763 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.724 0.297 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.4 131.74 50.25 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.206 1.402 . . . . 0.0 109.087 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -105.69 139.47 40.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 112.315 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.6 t -81.06 123.23 28.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.786 0.834 . . . . 0.0 110.422 173.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -64.53 -14.42 57.32 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -113.35 -35.97 5.13 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.572 1.149 . . . . 0.0 112.708 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.8 m -91.71 -21.8 20.55 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -174.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.01 -15.52 5.15 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.807 1.67 . . . . 0.0 116.122 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.48 153.89 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.701 1.6 . . . . 0.0 112.379 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 mp -116.58 133.71 55.69 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.934 1.694 . . . . 0.0 110.136 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -127.93 151.03 75.12 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.35 1.46 . . . . 0.0 110.303 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.91 -68.72 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.178 2.585 . . . . 0.0 113.22 -176.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.8 tp -161.39 -58.97 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.682 1.193 . . . . 0.0 113.064 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -69.21 -36.96 11.22 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 CA-C-N 121.866 1.702 . . . . 0.0 113.123 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.73 -27.95 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.547 0.739 . . . . 0.0 111.542 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.57 -43.48 84.58 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.328 -0.857 . . . . 0.0 111.235 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.92 -39.93 79.18 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.9 -42.95 94.31 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.746 -0.597 . . . . 0.0 112.096 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -60.5 -47.3 86.73 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.79 0.723 . . . . 0.0 110.833 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.74 -43.95 85.7 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.807 0.843 . . . . 0.0 112.27 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.52 -47.16 76.87 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -64.55 -46.89 80.88 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.285 0.948 . . . . 0.0 112.368 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.32 -44.22 97.01 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.449 1.5 . . . . 0.0 110.556 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.86 -45.74 92.49 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.306 1.042 . . . . 0.0 112.701 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -58.61 -48.26 81.58 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.78 0.718 . . . . 0.0 111.494 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.21 -44.14 92.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.772 0.829 . . . . 0.0 112.26 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.54 72.15 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.54 -0.725 . . . . 0.0 112.939 175.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -77.24 -46.85 21.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.371 1.068 . . . . 0.0 112.691 176.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -178.127 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.5 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -130.9 28.89 4.79 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.666 1.586 . . . . 0.0 111.908 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.54 174.84 1.58 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.909 1.683 . . . . 0.0 113.775 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -130.49 179.72 5.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.996 1.718 . . . . 0.0 111.171 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m 57.78 41.71 24.59 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.832 1.253 . . . . 0.0 112.483 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -129.1 15.24 6.25 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.918 1.687 . . . . 0.0 113.504 -172.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -119.08 156.09 52.66 Favored Pre-proline 0 N--CA 1.472 0.669 0 C-N-CA 126.635 1.974 . . . . 0.0 112.116 -174.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.01 127.74 15.65 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.915 2.41 . . . . 0.0 111.376 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -155.15 166.32 33.93 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.883 1.673 . . . . 0.0 110.476 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.6 156.47 27.07 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 123.679 0.657 . . . . 0.0 113.947 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -111.58 131.37 55.3 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.858 1.263 . . . . 0.0 111.181 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -154.06 168.23 27.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.223 1.809 . . . . 0.0 110.227 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.18 21.89 8.75 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.595 1.558 . . . . 0.0 112.979 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.16 12.45 3.9 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.751 1.62 . . . . 0.0 113.561 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -68.19 -7.64 31.94 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.719 -1.238 . . . . 0.0 114.083 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -86.05 -30.73 22.4 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.883 1.673 . . . . 0.0 114.025 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -42.09 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 118.955 0.798 . . . . 0.0 111.169 174.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.23 154.25 28.08 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.42 0.688 . . . . 0.0 111.548 173.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -126.65 143.76 51.13 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.515 1.526 . . . . 0.0 109.786 173.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -124.65 155.13 39.69 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.725 1.61 . . . . 0.0 111.817 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -113.74 117.19 30.81 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.99 1.316 . . . . 0.0 110.273 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -60.77 -14.27 20.34 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.48 1.512 . . . . 0.0 114.439 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -115.26 -2.13 12.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.128 1.371 . . . . 0.0 114.043 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.9 m -128.13 -27.45 2.73 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.66 -3.41 34.55 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.308 1.432 . . . . 0.0 116.554 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -77.38 156.24 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.526 1.531 . . . . 0.0 111.683 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.48 130.67 53.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.508 1.523 . . . . 0.0 110.691 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.07 150.86 73.24 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.53 1.532 . . . . 0.0 110.644 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.35 -67.32 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.999 2.466 . . . . 0.0 113.332 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.9 tp -166.51 -57.09 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.487 1.515 . . . . 0.0 112.414 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -72.27 -36.52 5.43 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 CA-C-N 121.992 1.747 . . . . 0.0 113.563 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.31 -25.82 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 118.864 0.757 . . . . 0.0 111.739 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.9 tp -56.24 -31.14 63.27 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.212 -0.93 . . . . 0.0 112.287 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -56.52 -43.58 79.92 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.219 0.918 . . . . 0.0 112.473 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -63.64 -41.59 98.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.995 0.518 . . . . 0.0 111.607 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -62.76 -49.19 75.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 119.177 -0.439 . . . . 0.0 111.283 174.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -54.45 -45.78 73.17 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.958 0.903 . . . . 0.0 112.05 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.95 -47.81 76.32 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.183 0.901 . . . . 0.0 113.008 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -45.72 67.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.496 0.718 . . . . 0.0 112.465 -176.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.9 t -62.92 -41.86 99.61 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.041 1.737 . . . . 0.0 110.875 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -59.89 -47.64 84.94 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.533 1.133 . . . . 0.0 112.491 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -60.64 -46.47 90.17 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.572 0.624 . . . . 0.0 111.539 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.1 mt -59.5 -50.82 72.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.52 0.728 . . . . 0.0 112.666 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.2 -36.9 81.14 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.904 0.775 . . . . 0.0 112.987 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 t -69.0 -42.86 75.89 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.459 1.103 . . . . 0.0 112.348 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -67.69 -33.53 75.09 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.842 1.257 . . . . 0.0 113.311 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -75.22 59.95 1.04 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.041 2.136 . . . . 0.0 112.647 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -121.06 81.98 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 C-N-CA 126.492 1.996 . . . . 0.0 111.902 -175.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.31 157.21 32.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.82 1.648 . . . . 0.0 111.986 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 52.18 25.51 3.35 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 125.909 1.684 . . . . 0.0 113.8 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.68 143.96 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.528 1.131 . . . . 0.0 111.864 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -157.75 120.77 3.93 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.818 1.247 . . . . 0.0 110.94 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -157.06 128.22 6.83 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.191 1.396 . . . . 0.0 111.147 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -155.25 163.04 40.71 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.466 1.906 . . . . 0.0 111.229 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.057 1.743 . . . . 0.0 113.198 177.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.485 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 p -144.59 169.77 17.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.633 1.573 . . . . 0.0 111.658 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -131.11 98.45 4.58 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.832 1.253 . . . . 0.0 110.658 -170.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -129.28 19.75 5.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.051 1.74 . . . . 0.0 112.554 -175.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -51.65 135.84 28.05 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.308 1.443 . . . . 0.0 113.252 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 p -157.47 133.29 9.32 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.195 1.398 . . . . 0.0 111.082 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.7 m -151.39 154.23 33.35 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 125.979 1.712 . . . . 0.0 111.058 -177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.1 162.7 40.98 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.083 2.522 . . . . 0.0 112.679 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -63.79 -16.9 62.37 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.892 1.677 . . . . 0.0 115.444 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.79 33.89 81.4 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.373 0.987 . . . . 0.0 114.488 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -56.99 116.41 3.19 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.423 1.089 . . . . 0.0 112.019 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -147.53 141.23 25.63 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.897 1.679 . . . . 0.0 109.856 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.64 12.22 1.37 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.38 137.29 32.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.232 1.413 . . . . 0.0 111.6 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -147.08 -10.13 0.44 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.058 1.343 . . . . 0.0 114.065 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.19 -46.12 14.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.415 1.086 . . . . 0.0 112.579 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.72 -48.39 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.712 0.805 . . . . 0.0 111.39 175.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.49 153.49 41.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.264 0.626 . . . . 0.0 111.409 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.13 137.28 46.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.368 1.467 . . . . 0.0 109.856 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.56 154.34 24.95 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.336 1.454 . . . . 0.0 112.654 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t -104.91 118.18 35.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.373 1.469 . . . . 0.0 110.079 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -61.98 -15.81 46.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.075 1.35 . . . . 0.0 114.079 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -113.68 -4.84 13.38 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.08 1.352 . . . . 0.0 113.841 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.0 m -128.72 -25.71 2.81 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.59 -7.5 25.47 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.13 1.348 . . . . 0.0 116.173 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.7 tt -66.57 155.19 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.345 1.458 . . . . 0.0 111.948 173.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mp -120.77 131.69 54.63 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.594 1.558 . . . . 0.0 109.627 171.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.89 151.78 69.02 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.284 1.434 . . . . 0.0 110.309 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.19 -70.91 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.038 2.492 . . . . 0.0 113.214 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -167.22 -55.56 0.01 OUTLIER Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 124.92 1.288 . . . . 0.0 112.697 -177.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -70.29 -35.63 10.76 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.849 1.7 . . . . 0.0 112.677 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.4 mt -74.79 -29.36 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.376 1.07 . . . . 0.0 111.096 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.11 -35.23 69.2 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.361 -0.837 . . . . 0.0 112.231 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -57.11 -39.64 75.49 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 118.811 0.732 . . . . 0.0 112.758 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -66.94 -46.21 75.44 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.491 0.717 . . . . 0.0 111.738 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -62.52 -46.25 89.25 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.675 0.671 . . . . 0.0 110.852 175.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -56.09 -51.37 68.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.376 1.07 . . . . 0.0 111.934 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.3 -41.05 86.01 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.983 0.811 . . . . 0.0 112.963 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -48.55 63.14 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.763 0.71 . . . . 0.0 112.315 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.6 t -60.93 -46.86 89.0 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.284 1.834 . . . . 0.0 111.002 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -47.38 84.31 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.751 1.22 . . . . 0.0 112.233 172.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -61.62 -49.12 77.84 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.545 0.612 . . . . 0.0 111.934 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -44.52 96.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.774 0.829 . . . . 0.0 111.19 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -47.47 85.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.747 0.819 . . . . 0.0 112.384 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -62.98 -43.77 97.88 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.706 1.202 . . . . 0.0 112.674 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 m -72.63 -16.01 61.72 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 49.43 35.49 8.19 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.149 1.78 . . . . 0.0 112.566 -177.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.71 -13.4 83.06 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.694 1.14 . . . . 0.0 115.273 -170.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -143.38 154.85 44.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.048 1.739 . . . . 0.0 109.818 174.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.55 42.49 3.09 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.444 1.498 . . . . 0.0 112.511 -169.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.21 -5.55 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 125.387 1.475 . . . . 0.0 114.791 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.84 159.82 39.5 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.149 1.779 . . . . 0.0 112.326 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -144.46 141.65 29.73 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.935 1.694 . . . . 0.0 110.563 -176.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -154.04 168.87 25.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.425 1.49 . . . . 0.0 111.255 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.252 1.214 0 C-N-CA 125.685 1.594 . . . . 0.0 112.358 -177.003 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.02 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m 52.95 25.01 3.69 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -78.44 131.1 36.77 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.833 -1.167 . . . . 0.0 111.273 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -140.22 138.74 35.33 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.558 1.543 . . . . 0.0 110.624 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 m -150.68 147.23 27.12 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.004 1.721 . . . . 0.0 109.216 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 p -61.16 138.17 58.22 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.681 0.792 . . . . 0.0 112.674 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -65.83 152.9 92.34 Favored Pre-proline 0 N--CA 1.474 0.736 0 C-N-CA 124.37 1.068 . . . . 0.0 112.275 176.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -67.75 146.74 73.71 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.943 2.429 . . . . 0.0 112.159 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -144.58 145.49 31.84 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.333 1.853 . . . . 0.0 109.991 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.39 61.12 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 N-CA-C 114.462 0.545 . . . . 0.0 114.462 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -142.21 154.54 44.88 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.237 1.015 . . . . 0.0 112.005 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -151.27 127.34 10.44 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.733 1.613 . . . . 0.0 110.238 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.73 24.8 2.4 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.917 1.287 . . . . 0.0 112.797 -172.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.69 33.37 0.05 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.122 2.169 . . . . 0.0 115.069 -175.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -73.06 28.22 0.06 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.851 2.06 . . . . 0.0 113.925 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 t70 55.73 10.77 0.57 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.929 2.492 . . . . 0.0 115.619 -172.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -41.61 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.325 1.45 . . . . 0.0 112.086 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.18 154.05 35.96 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.915 0.886 . . . . 0.0 111.68 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.29 136.28 49.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.271 1.428 . . . . 0.0 108.725 174.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -120.42 142.27 49.37 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.163 1.385 . . . . 0.0 112.191 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.0 t -85.54 124.08 31.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.866 0.866 . . . . 0.0 110.242 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -64.27 -15.45 60.14 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.247 1.019 . . . . 0.0 113.597 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -114.19 -30.63 6.58 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.708 1.203 . . . . 0.0 113.137 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.6 m -98.82 -22.42 15.84 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.87 -12.76 10.23 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.33 1.443 . . . . 0.0 116.559 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -67.18 154.93 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.015 1.326 . . . . 0.0 111.938 173.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.75 131.46 55.37 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.452 1.501 . . . . 0.0 109.269 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -124.93 150.02 64.91 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.108 1.363 . . . . 0.0 110.505 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -71.5 -69.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 123.162 2.575 . . . . 0.0 113.37 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.03 -54.87 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.759 1.224 . . . . 0.0 112.883 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.28 -39.01 1.24 Allowed 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.835 1.69 . . . . 0.0 112.879 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.3 mt -66.4 -29.25 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.042 0.937 . . . . 0.0 111.077 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.9 tp -55.66 -31.44 62.37 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.194 0.997 . . . . 0.0 112.633 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -56.35 -41.95 76.95 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.226 0.921 . . . . 0.0 112.315 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -64.62 -39.68 94.14 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.736 0.815 . . . . 0.0 112.059 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -64.4 -45.31 88.2 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.689 -0.632 . . . . 0.0 111.28 173.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.28 -45.29 84.24 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.083 0.856 . . . . 0.0 111.932 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.29 -40.53 77.67 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.178 0.899 . . . . 0.0 113.397 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -68.23 -49.29 61.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.956 1.253 . . . . 0.0 112.558 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -43.33 99.07 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.252 1.421 . . . . 0.0 109.952 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -59.01 -50.69 73.12 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.885 1.274 . . . . 0.0 112.609 169.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -59.5 -46.04 89.98 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.979 0.809 . . . . 0.0 111.847 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -46.39 78.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.246 0.619 . . . . 0.0 111.229 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.4 -32.41 73.24 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.2 t -75.73 -38.49 58.43 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.419 1.088 . . . . 0.0 112.19 173.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 t -68.54 -31.69 71.1 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.336 1.455 . . . . 0.0 113.243 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 54.48 25.98 6.71 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.412 1.885 . . . . 0.0 113.73 -175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.19 163.26 52.72 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.74 1.162 . . . . 0.0 114.653 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.96 81.17 6.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.38 1.472 . . . . 0.0 111.893 -177.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -76.33 168.4 20.13 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.902 1.281 . . . . 0.0 111.182 167.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.1 m -121.19 155.02 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.79 1.636 . . . . 0.0 111.532 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -150.24 173.07 14.37 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.739 1.216 . . . . 0.0 113.485 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -132.85 -17.5 2.46 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -147.07 -19.44 0.4 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.251 1.141 0 C-N-CA 125.169 1.388 . . . . 0.0 112.268 -173.251 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.064 -0.415 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -125.84 108.8 11.82 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.552 1.541 . . . . 0.0 109.343 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -86.02 48.77 1.66 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.82 1.248 . . . . 0.0 112.789 -165.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -42.15 -46.27 4.3 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.594 1.957 . . . . 0.0 115.107 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.2 p -138.98 7.5 2.46 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 125.375 1.47 . . . . 0.0 113.241 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -88.45 46.3 1.37 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.485 1.514 . . . . 0.0 112.696 -172.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.4 m -142.43 153.6 62.61 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 125.675 1.59 . . . . 0.0 111.833 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.51 152.47 78.46 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.219 2.612 . . . . 0.0 112.095 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -62.93 -38.9 92.85 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.201 1.0 . . . . 0.0 113.626 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 48.18 -132.58 19.28 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.665 1.126 . . . . 0.0 113.223 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -145.32 164.38 31.64 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.901 1.28 . . . . 0.0 112.147 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -76.85 77.92 3.44 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.903 1.281 . . . . 0.0 112.201 -176.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.09 -5.92 3.58 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.56 59.66 0.14 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.491 2.316 . . . . 0.0 114.231 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -124.27 30.36 6.09 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.203 1.801 . . . . 0.0 111.964 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t0 51.46 39.85 25.44 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.212 1.805 . . . . 0.0 113.838 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.8 tt -128.84 -30.93 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.593 1.957 . . . . 0.0 112.864 -174.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt -135.26 165.2 25.98 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.572 1.949 . . . . 0.0 109.536 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -131.28 137.34 48.8 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.334 1.454 . . . . 0.0 109.777 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -99.11 151.54 20.85 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.774 1.23 . . . . 0.0 111.962 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.9 t -98.27 120.0 37.92 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.848 1.259 . . . . 0.0 109.91 173.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.0 p -68.2 -6.38 23.2 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.041 1.337 . . . . 0.0 114.556 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -121.17 -5.58 9.45 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.454 1.501 . . . . 0.0 113.315 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.9 m -130.2 -25.78 2.43 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.823 1.249 . . . . 0.0 113.757 -173.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.24 -8.1 33.94 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.079 1.323 . . . . 0.0 116.147 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.2 tt -68.57 155.39 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.386 1.474 . . . . 0.0 111.972 173.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mp -123.11 130.52 52.88 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.656 1.582 . . . . 0.0 110.176 172.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.73 151.98 76.26 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.561 1.544 . . . . 0.0 110.115 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.11 -69.29 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 122.793 2.329 . . . . 0.0 113.689 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.75 -56.36 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.958 1.303 . . . . 0.0 112.623 -176.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.44 -37.08 1.47 Allowed 'Trans proline' 0 C--N 1.355 0.905 0 CA-C-N 121.657 1.628 . . . . 0.0 113.612 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -69.35 -26.79 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 121.012 -1.055 . . . . 0.0 111.177 174.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.6 tp -57.49 -29.63 64.45 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 118.124 -0.941 . . . . 0.0 112.418 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -59.5 -39.4 83.66 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 120.343 1.429 . . . . 0.0 112.611 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.32 -45.7 79.39 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.242 0.617 . . . . 0.0 111.48 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -63.35 -45.64 90.27 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 118.395 0.543 . . . . 0.0 110.855 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -56.34 -49.96 72.87 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.529 1.132 . . . . 0.0 112.032 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.06 -41.07 95.47 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.601 1.091 . . . . 0.0 112.944 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -71.43 -48.43 49.61 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.592 0.757 . . . . 0.0 111.716 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.61 -44.56 96.15 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.701 2.001 . . . . 0.0 111.07 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -48.78 79.77 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.596 1.159 . . . . 0.0 112.312 172.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -62.84 -41.9 99.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.491 0.587 . . . . 0.0 112.247 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.31 -48.3 80.46 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.521 -0.737 . . . . 0.0 111.445 171.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.47 77.32 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.58 1.082 . . . . 0.0 113.597 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.4 p -76.23 -31.12 58.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -77.79 -23.49 49.14 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.573 1.149 . . . . 0.0 114.019 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -73.77 46.14 0.21 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.532 2.333 . . . . 0.0 113.286 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.91 49.86 2.55 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 126.508 2.004 . . . . 0.0 114.517 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.16 66.24 1.11 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 127.186 2.194 . . . . 0.0 112.847 -177.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -136.37 46.36 2.27 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.401 1.481 . . . . 0.0 112.854 -172.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.7 m -128.7 157.4 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 125.545 1.538 . . . . 0.0 112.922 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -78.84 55.99 1.83 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.306 1.843 . . . . 0.0 112.425 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -132.69 -2.98 3.31 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.314 1.446 . . . . 0.0 113.502 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -140.19 109.19 6.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.957 1.303 . . . . 0.0 110.131 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.422 1.889 . . . . 0.0 111.857 -172.084 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.367 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -151.47 22.79 0.72 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.179 1.392 . . . . 0.0 111.299 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 7.8 mp0 -55.83 154.61 6.92 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.847 2.459 . . . . 0.0 112.508 -174.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -129.35 1.66 5.11 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.704 1.202 . . . . 0.0 113.362 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -152.48 152.54 32.07 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.255 1.822 . . . . 0.0 109.966 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -101.29 164.46 11.77 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.661 1.184 . . . . 0.0 111.965 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 m -133.28 61.81 56.99 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.176 1.39 . . . . 0.0 112.303 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.94 -2.21 12.22 Favored 'Trans proline' 0 CA--C 1.547 1.173 0 C-N-CA 124.098 3.199 . . . . 0.0 114.068 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -131.54 168.92 16.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.131 2.172 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.34 145.06 31.89 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.296 0.95 . . . . 0.0 113.863 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.01 168.43 20.04 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.793 1.237 . . . . 0.0 114.31 -174.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -101.69 -49.79 3.89 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.929 1.692 . . . . 0.0 113.925 -175.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.65 -5.77 0.18 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.288 1.435 . . . . 0.0 114.145 -174.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.66 30.55 0.16 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.063 1.745 . . . . 0.0 114.169 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -58.46 -15.41 10.82 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.107 1.363 . . . . 0.0 114.648 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -68.16 -34.17 75.83 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.127 1.371 . . . . 0.0 114.318 174.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.57 -33.1 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 119.195 0.907 . . . . 0.0 111.58 174.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 mt -63.28 165.15 7.84 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.994 0.902 . . . . 0.0 112.928 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -131.68 148.76 52.61 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.33 1.852 . . . . 0.0 109.586 171.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -127.9 140.17 52.17 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.83 1.252 . . . . 0.0 111.405 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -79.59 116.66 19.92 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 122.873 0.469 . . . . 0.0 110.036 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 t -64.05 -8.87 13.17 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.398 1.079 . . . . 0.0 113.628 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -116.72 -16.41 10.67 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.067 1.347 . . . . 0.0 113.388 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.6 m -121.33 -18.53 7.31 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.578 1.151 . . . . 0.0 114.038 -175.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.54 -13.61 8.0 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.261 1.41 . . . . 0.0 116.228 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 tt -64.56 156.02 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.483 1.513 . . . . 0.0 112.304 174.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.95 135.27 53.55 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.531 1.532 . . . . 0.0 110.689 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -128.95 153.23 80.16 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.818 1.647 . . . . 0.0 110.282 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.73 -72.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.014 2.476 . . . . 0.0 112.948 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mt -159.27 -54.39 0.01 OUTLIER Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.607 1.163 . . . . 0.0 113.628 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -75.67 -38.38 1.35 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 CA-C-N 121.783 1.673 . . . . 0.0 113.499 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.27 -25.64 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.283 -0.886 . . . . 0.0 111.64 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.0 tp -54.9 -35.17 63.85 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.207 -0.933 . . . . 0.0 112.287 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.85 -38.89 79.74 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.7 0.8 . . . . 0.0 112.727 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.35 -44.1 84.19 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.634 0.773 . . . . 0.0 111.542 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.65 -47.82 79.74 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.464 0.575 . . . . 0.0 110.882 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -52.66 -54.06 38.66 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.16 0.984 . . . . 0.0 112.217 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.37 -39.41 94.45 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.75 1.159 . . . . 0.0 113.277 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -73.12 -46.91 48.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.652 0.66 . . . . 0.0 111.603 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.9 t -61.39 -44.56 96.94 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.982 1.713 . . . . 0.0 111.056 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -61.65 -48.08 82.45 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.376 1.07 . . . . 0.0 112.499 172.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -60.43 -45.39 93.8 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.598 0.636 . . . . 0.0 112.07 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.41 -49.94 71.8 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.424 1.09 . . . . 0.0 111.161 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.56 87.87 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.8 t -66.99 -42.15 85.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.142 0.977 . . . . 0.0 112.246 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.0 m -70.6 -33.22 70.81 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.207 1.003 . . . . 0.0 113.053 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -77.16 59.97 1.83 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.687 1.995 . . . . 0.0 111.857 176.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.58 -25.89 67.72 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.781 1.181 . . . . 0.0 114.237 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -69.82 108.4 3.94 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.966 1.307 . . . . 0.0 111.059 174.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -67.03 124.21 22.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.628 0.771 . . . . 0.0 110.86 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.8 m -147.55 162.77 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.605 1.562 . . . . 0.0 111.577 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -55.98 137.58 50.59 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.231 1.012 . . . . 0.0 111.271 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -152.32 150.48 29.78 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.138 1.375 . . . . 0.0 111.464 -173.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -76.95 146.67 37.38 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.8 p . . . . . 0 C--O 1.252 1.192 0 C-N-CA 126.32 1.848 . . . . 0.0 114.322 171.792 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 CA-C-O 118.205 -1.33 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -155.99 168.5 27.04 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.701 1.201 . . . . 0.0 110.9 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -86.84 76.66 9.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.528 1.531 . . . . 0.0 111.531 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -59.26 140.15 56.27 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.76 0.824 . . . . 0.0 112.024 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 t -71.12 176.37 4.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.321 1.048 . . . . 0.0 112.408 173.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -139.66 177.27 8.07 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.604 1.561 . . . . 0.0 111.63 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.0 m -122.9 150.08 58.09 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.431 1.492 . . . . 0.0 111.912 -170.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.28 150.23 70.91 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.168 2.579 . . . . 0.0 112.52 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -68.82 168.21 13.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.34 1.056 . . . . 0.0 112.684 170.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.25 169.75 42.83 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.976 1.274 . . . . 0.0 112.845 173.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -69.82 161.89 28.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.075 0.95 . . . . 0.0 112.754 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -146.33 163.28 36.03 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.867 1.667 . . . . 0.0 111.48 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.89 -51.22 9.38 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 172.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 50.11 36.82 12.98 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.345 1.458 . . . . 0.0 114.487 -171.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -121.39 41.86 3.23 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.269 1.828 . . . . 0.0 112.149 -178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 54.21 37.11 26.58 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.961 1.704 . . . . 0.0 114.274 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.5 tt -120.37 -28.25 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 126.615 1.966 . . . . 0.0 112.797 -174.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -136.77 162.18 33.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.684 1.994 . . . . 0.0 109.455 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -132.27 136.36 46.89 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.404 1.482 . . . . 0.0 109.551 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -112.56 151.29 30.19 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.534 1.533 . . . . 0.0 111.655 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 t -111.0 114.43 27.73 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.271 1.028 . . . . 0.0 110.4 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 p -61.49 -8.61 4.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.84 1.656 . . . . 0.0 114.989 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -114.63 -3.22 12.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.641 1.576 . . . . 0.0 112.956 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 m -133.46 -31.06 1.24 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -172.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.68 12.43 84.49 Favored Glycine 0 CA--C 1.542 1.745 0 N-CA-C 116.224 1.249 . . . . 0.0 116.224 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 tt -103.28 156.34 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.814 1.646 . . . . 0.0 110.937 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.1 128.28 48.21 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.374 1.47 . . . . 0.0 110.326 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -126.25 151.7 72.56 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 125.328 1.451 . . . . 0.0 110.27 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.65 -75.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.842 2.361 . . . . 0.0 112.951 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mt -159.39 -50.27 0.01 OUTLIER Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.414 1.485 . . . . 0.0 113.558 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -78.02 -41.16 0.31 Allowed 'Trans proline' 0 CA--C 1.541 0.83 0 CA-C-N 121.443 1.551 . . . . 0.0 113.632 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.86 -25.42 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 121.107 -0.995 . . . . 0.0 111.75 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.57 -26.17 42.13 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.542 1.137 . . . . 0.0 112.716 171.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -57.82 -44.99 86.77 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.293 0.951 . . . . 0.0 112.547 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -63.51 -40.34 96.8 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.763 -0.585 . . . . 0.0 111.318 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -61.43 -49.49 76.64 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.172 174.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -55.78 -43.87 77.19 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.472 0.709 . . . . 0.0 112.368 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -65.11 -47.64 76.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.341 0.973 . . . . 0.0 112.988 175.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -68.38 -47.94 66.05 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.73 0.696 . . . . 0.0 111.989 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 t -61.41 -43.23 99.23 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.124 1.769 . . . . 0.0 111.009 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -62.24 -47.41 84.48 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.287 1.035 . . . . 0.0 112.403 171.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -58.49 -45.98 87.61 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.757 0.708 . . . . 0.0 111.597 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -51.84 67.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.271 1.028 . . . . 0.0 110.859 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.48 85.42 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -69.68 -41.99 74.72 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.16 0.984 . . . . 0.0 112.435 176.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.4 t -66.3 -39.55 89.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.924 1.289 . . . . 0.0 112.559 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.55 59.59 1.51 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.807 2.043 . . . . 0.0 112.464 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.27 -35.61 85.36 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.133 1.349 . . . . 0.0 114.696 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -83.49 125.74 32.06 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.385 1.074 . . . . 0.0 110.422 172.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -70.39 164.98 23.42 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.898 0.856 . . . . 0.0 113.121 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.79 176.43 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.17 1.388 . . . . 0.0 112.042 171.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -123.34 20.22 9.69 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.569 1.548 . . . . 0.0 113.063 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -148.21 171.99 15.05 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.594 1.957 . . . . 0.0 111.264 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -140.11 -36.35 0.49 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.501 1.121 . . . . 0.0 113.508 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.254 1.3 0 C-N-CA 127.711 2.404 . . . . 0.0 115.038 176.616 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 N-CA-C 112.235 -0.346 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -68.44 172.25 6.31 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.643 1.177 . . . . 0.0 112.364 169.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.7 152.3 22.97 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 121.285 -0.885 . . . . 0.0 113.137 175.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -116.93 149.06 40.77 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.188 1.395 . . . . 0.0 111.374 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.5 m -65.41 -55.05 20.19 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.35 1.06 . . . . 0.0 112.493 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -156.79 156.28 33.0 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.233 1.813 . . . . 0.0 111.13 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.4 p -83.98 162.89 50.75 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 112.165 168.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.22 -4.88 15.99 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 123.459 2.773 . . . . 0.0 114.464 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 46.79 45.97 15.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.886 2.074 . . . . 0.0 114.394 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.77 173.88 32.4 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.105 1.336 . . . . 0.0 113.324 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -139.03 91.1 2.49 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.172 1.389 . . . . 0.0 110.975 -170.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -152.63 142.5 22.1 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.767 1.227 . . . . 0.0 111.694 177.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.99 -8.21 59.23 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -17.91 45.42 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -91.36 -8.76 47.13 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -82.67 -28.73 30.43 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -37.67 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.781 0.833 . . . . 0.0 111.902 174.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.67 158.31 21.8 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.15 0.98 . . . . 0.0 112.086 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -123.12 149.04 45.02 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.926 1.69 . . . . 0.0 110.09 171.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -131.77 165.88 22.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.188 1.795 . . . . 0.0 110.911 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -134.82 115.14 13.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.466 1.106 . . . . 0.0 110.18 -172.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -62.93 -4.83 2.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.392 1.877 . . . . 0.0 115.466 -173.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -125.06 4.81 7.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.508 1.523 . . . . 0.0 113.541 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.3 m -127.47 -32.49 2.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.005 1.322 . . . . 0.0 113.468 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.72 -14.12 14.7 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.464 1.506 . . . . 0.0 116.317 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -74.35 156.66 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.591 1.556 . . . . 0.0 112.385 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.33 137.5 54.67 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.342 1.457 . . . . 0.0 110.674 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -130.22 152.49 80.23 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.92 1.688 . . . . 0.0 110.35 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -74.05 -70.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.833 2.355 . . . . 0.0 113.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -162.94 -55.84 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.921 1.288 . . . . 0.0 113.344 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.27 -33.15 3.57 Favored 'Trans proline' 0 C--N 1.355 0.875 0 CA-C-N 121.827 1.688 . . . . 0.0 113.822 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.14 -25.76 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 121.102 -0.998 . . . . 0.0 111.242 173.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.7 tp -58.16 -25.44 61.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.584 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -53.92 -44.73 70.82 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.615 1.552 . . . . 0.0 113.09 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -63.65 -40.53 97.09 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.34 0.656 . . . . 0.0 111.713 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -65.89 -43.73 87.39 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.875 -0.516 . . . . 0.0 112.045 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -48.29 80.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.737 1.215 . . . . 0.0 111.14 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.72 -36.13 82.71 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.631 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -64.95 -53.35 47.74 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.03 1.286 . . . . 0.0 112.857 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.3 m -59.64 -42.33 92.51 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.235 0.614 . . . . 0.0 111.212 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.74 -46.17 89.31 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.145 0.978 . . . . 0.0 112.239 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -58.51 -45.91 87.82 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.415 1.086 . . . . 0.0 112.573 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.65 -44.15 82.68 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 118.846 -0.597 . . . . 0.0 112.078 173.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.59 98.8 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.145 0.884 . . . . 0.0 113.236 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.8 p -73.83 -35.47 64.83 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.415 0.686 . . . . 0.0 112.826 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.1 m -67.83 -32.02 72.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.464 0.706 . . . . 0.0 112.81 174.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -63.53 -47.45 81.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.27 1.028 . . . . 0.0 111.365 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.09 -66.74 0.14 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 127.038 2.256 . . . . 0.0 113.662 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -77.74 76.37 4.27 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.561 1.944 . . . . 0.0 109.695 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -57.74 144.77 37.01 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.458 0.703 . . . . 0.0 111.524 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.3 m -72.93 -20.58 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 44.08 31.72 0.56 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.37 1.868 . . . . 0.0 114.476 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 41.78 60.71 2.11 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 127.276 2.231 . . . . 0.0 113.968 -170.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -62.95 -12.27 24.36 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 116.215 1.931 . . . . 0.0 116.215 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.788 2.435 . . . . 0.0 114.807 -177.073 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -119.79 50.59 1.25 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.979 1.312 . . . . 0.0 112.409 -169.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.41 139.82 58.58 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.396 1.079 . . . . 0.0 111.774 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -143.83 67.72 1.28 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.321 1.048 . . . . 0.0 110.838 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m 55.85 35.63 25.77 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.371 1.468 . . . . 0.0 112.326 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -63.35 -29.2 70.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.503 1.521 . . . . 0.0 114.365 -173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.8 t -164.59 148.13 7.65 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 126.879 2.072 . . . . 0.0 110.01 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.02 172.63 11.59 Favored 'Trans proline' 0 CA--C 1.545 1.069 0 C-N-CA 123.378 2.719 . . . . 0.0 113.377 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -139.4 140.41 37.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.46 1.504 . . . . 0.0 111.331 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.85 39.78 1.12 Allowed Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.274 1.416 . . . . 0.0 112.605 -173.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -130.19 42.15 3.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.298 1.839 . . . . 0.0 110.944 -166.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -144.56 140.08 28.57 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.653 1.581 . . . . 0.0 111.618 -171.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.23 86.33 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.074 0.95 . . . . 0.0 113.314 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.21 66.13 8.59 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.261 1.424 . . . . 0.0 111.713 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -101.0 -7.53 23.21 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.494 1.117 . . . . 0.0 113.535 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -78.49 -29.65 46.8 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.546 1.138 . . . . 0.0 113.727 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -41.21 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.038 0.935 . . . . 0.0 111.748 173.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.37 155.74 24.37 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.317 1.047 . . . . 0.0 111.289 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -118.32 134.83 54.71 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.539 1.136 . . . . 0.0 110.218 173.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -106.31 147.47 29.14 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.446 1.899 . . . . 0.0 109.966 -176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.1 t -112.95 110.56 20.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.921 1.288 . . . . 0.0 109.466 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -63.33 -3.46 1.97 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.209 1.404 . . . . 0.0 114.513 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -122.51 -6.04 8.71 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.944 1.698 . . . . 0.0 113.334 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.3 m -132.07 -28.36 1.74 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.086 1.354 . . . . 0.0 113.874 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.54 -8.62 33.26 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.545 1.545 . . . . 0.0 116.148 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.44 158.71 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.705 1.602 . . . . 0.0 112.863 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mp -127.91 128.22 44.75 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.514 1.526 . . . . 0.0 110.752 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -128.49 150.89 75.71 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 125.678 1.591 . . . . 0.0 110.324 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -72.47 -63.97 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.13 2.554 . . . . 0.0 113.481 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.3 tp -169.13 -58.8 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.703 1.601 . . . . 0.0 112.016 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.08 -38.6 3.73 Favored 'Trans proline' 0 C--N 1.354 0.84 0 CA-C-N 121.783 1.672 . . . . 0.0 113.38 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -69.02 -27.02 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.962 0.801 . . . . 0.0 111.615 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.39 -30.48 64.94 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.238 -0.913 . . . . 0.0 112.184 173.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -57.1 -39.55 75.27 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.838 1.199 . . . . 0.0 112.54 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -69.14 -44.74 71.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.574 0.75 . . . . 0.0 112.191 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -62.09 -45.81 91.86 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.847 0.749 . . . . 0.0 110.777 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -55.87 -52.41 64.14 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.006 1.323 . . . . 0.0 111.688 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.09 -38.95 93.24 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.618 1.099 . . . . 0.0 113.268 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -46.84 43.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.757 0.823 . . . . 0.0 111.872 -177.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -60.96 -45.26 95.46 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.894 2.078 . . . . 0.0 110.735 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -57.58 -51.52 69.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.47 1.108 . . . . 0.0 112.362 170.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -62.33 -44.91 95.39 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.467 0.576 . . . . 0.0 111.883 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.33 -44.54 87.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.848 0.859 . . . . 0.0 112.43 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.11 75.88 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.799 0.84 . . . . 0.0 112.822 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.4 t -67.11 -41.78 85.64 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.055 0.942 . . . . 0.0 111.974 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 t -70.31 -25.18 63.2 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.884 1.274 . . . . 0.0 113.814 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 52.89 27.57 5.63 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.474 1.909 . . . . 0.0 113.409 -173.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.18 -48.78 29.97 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.05 0.833 . . . . 0.0 114.174 -169.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -80.27 160.0 25.67 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.032 0.933 . . . . 0.0 110.874 171.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -119.79 97.76 5.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 110.369 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.5 m -69.18 160.71 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.167 1.387 . . . . 0.0 112.567 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -96.98 91.71 5.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.026 1.33 . . . . 0.0 110.798 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.8 155.37 42.31 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.956 1.302 . . . . 0.0 111.102 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -118.56 150.77 39.09 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.091 1.356 . . . . 0.0 111.748 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.254 1.322 0 C-N-CA 125.429 1.491 . . . . 0.0 112.678 -175.166 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -70.86 143.58 51.0 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 117.838 0.819 . . . . 0.0 111.728 173.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.57 -21.98 44.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.708 0.803 . . . . 0.0 112.932 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 46.23 21.42 0.11 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.847 2.059 . . . . 0.0 115.676 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 p -62.52 115.82 4.58 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.103 1.361 . . . . 0.0 111.815 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 p -152.18 167.56 28.17 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.063 1.745 . . . . 0.0 110.672 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.9 p -140.08 155.97 70.45 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 124.57 1.148 . . . . 0.0 112.348 -173.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -68.41 165.62 28.34 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.185 2.59 . . . . 0.0 113.012 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -137.27 170.42 16.11 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.274 1.83 . . . . 0.0 111.814 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.4 -166.99 30.95 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.112 0.863 . . . . 0.0 113.13 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.25 45.08 0.27 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.501 1.92 . . . . 0.0 114.13 -174.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -53.47 -42.37 67.16 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.55 1.54 . . . . 0.0 113.105 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 45.52 40.91 6.26 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 125.876 1.671 . . . . 0.0 114.855 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.44 92.06 3.11 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.014 1.326 . . . . 0.0 110.761 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -134.41 5.66 3.49 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.345 1.458 . . . . 0.0 112.304 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.55 -13.7 59.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.828 1.651 . . . . 0.0 113.466 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.14 -47.79 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.529 1.532 . . . . 0.0 111.204 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.14 140.33 58.86 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.723 0.692 . . . . 0.0 110.832 170.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -112.98 143.12 44.82 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.06 1.744 . . . . 0.0 109.347 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -129.8 121.45 26.82 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.616 1.166 . . . . 0.0 111.928 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 t -78.1 121.22 24.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.195 1.398 . . . . 0.0 111.783 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -67.33 -6.57 19.35 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -122.28 -5.56 8.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.267 1.427 . . . . 0.0 113.193 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.4 m -129.83 -24.52 2.67 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.667 1.187 . . . . 0.0 113.846 -174.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.48 -11.03 19.95 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.177 1.37 . . . . 0.0 116.338 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 tp -68.92 149.49 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.71 1.604 . . . . 0.0 112.596 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -114.54 127.15 55.65 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.649 1.58 . . . . 0.0 110.038 173.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -126.88 146.05 56.01 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.84 1.256 . . . . 0.0 110.923 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.81 -66.09 0.03 OUTLIER 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.277 2.651 . . . . 0.0 113.727 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.1 tp -169.73 -58.41 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 125.749 1.62 . . . . 0.0 111.852 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.95 -32.28 29.03 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.712 1.608 . . . . 0.0 112.911 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.8 mt -80.28 -29.57 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.543 1.137 . . . . 0.0 111.195 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 tp -57.39 -34.41 68.84 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.873 0.869 . . . . 0.0 112.135 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -56.01 -38.73 70.9 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.843 0.857 . . . . 0.0 112.851 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -71.49 -42.63 67.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.698 0.799 . . . . 0.0 112.418 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -63.65 -44.9 92.48 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.936 0.789 . . . . 0.0 110.803 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -56.46 -50.33 72.02 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.403 1.081 . . . . 0.0 111.994 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -65.2 -39.85 93.37 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.228 0.922 . . . . 0.0 113.135 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -67.56 -50.39 58.7 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.456 1.026 . . . . 0.0 112.468 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.24 -44.71 95.94 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.001 1.721 . . . . 0.0 110.377 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -62.6 -46.61 87.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.864 1.266 . . . . 0.0 112.892 172.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -60.45 -45.86 92.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.814 0.734 . . . . 0.0 111.683 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 tp -63.49 -45.42 90.81 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.415 0.686 . . . . 0.0 111.71 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.81 84.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 t -72.89 -41.03 65.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.261 1.024 . . . . 0.0 112.461 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -70.12 -26.0 63.75 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.476 1.51 . . . . 0.0 113.139 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 56.17 27.0 10.93 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.902 2.081 . . . . 0.0 113.253 -177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.76 -44.46 92.21 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.795 1.188 . . . . 0.0 114.573 -170.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.24 136.88 14.28 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.511 1.524 . . . . 0.0 110.028 171.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -130.92 139.94 50.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.88 1.272 . . . . 0.0 110.326 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -77.98 -18.03 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -79.49 92.62 5.29 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.459 1.504 . . . . 0.0 109.19 168.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -129.43 145.88 51.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.621 1.569 . . . . 0.0 109.414 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -141.11 172.0 13.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.313 1.445 . . . . 0.0 112.804 -166.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.255 1.343 0 C-N-CA 125.976 1.71 . . . . 0.0 111.664 -173.079 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m -75.42 65.48 1.7 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.866 1.666 . . . . 0.0 113.397 -177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -121.29 35.96 4.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.319 1.848 . . . . 0.0 111.699 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 56.06 21.01 4.72 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.399 1.88 . . . . 0.0 114.914 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.1 m -86.99 76.16 9.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.555 1.542 . . . . 0.0 110.836 -174.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.0 m -78.42 -12.17 59.99 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m 40.51 59.4 7.68 Favored Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 126.901 2.08 . . . . 0.0 114.967 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -68.29 -28.52 33.33 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.251 2.634 . . . . 0.0 114.162 -173.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -144.68 167.8 21.7 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.778 2.031 . . . . 0.0 110.857 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.89 45.5 0.22 Allowed Glycine 0 CA--C 1.536 1.357 0 C-N-CA 123.752 0.691 . . . . 0.0 114.695 -173.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.95 149.69 46.72 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.071 0.949 . . . . 0.0 113.156 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -151.85 154.39 36.08 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.023 1.329 . . . . 0.0 112.076 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -21.91 66.38 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.93 36.28 3.5 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.661 1.584 . . . . 0.0 112.053 -173.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -58.39 -16.5 14.99 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -69.56 -34.0 73.55 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -38.65 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.942 0.792 . . . . 0.0 111.122 173.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.81 164.16 3.97 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.674 0.789 . . . . 0.0 112.109 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -127.78 145.3 50.96 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.311 1.445 . . . . 0.0 109.893 169.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.92 156.73 37.5 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.371 1.869 . . . . 0.0 110.415 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -129.88 113.7 14.96 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.083 1.353 . . . . 0.0 110.36 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 m -63.64 -4.66 3.15 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.916 1.686 . . . . 0.0 114.939 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -111.37 -5.56 14.62 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.625 1.57 . . . . 0.0 112.746 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.8 m -131.48 -36.89 1.24 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.755 1.222 . . . . 0.0 113.8 -170.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.75 -9.59 59.05 Favored Glycine 0 CA--C 1.543 1.827 0 C-N-CA 125.465 1.507 . . . . 0.0 116.55 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -76.27 160.87 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.539 1.535 . . . . 0.0 112.31 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.5 133.25 51.21 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.772 1.629 . . . . 0.0 110.933 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -128.6 150.33 74.35 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 125.498 1.519 . . . . 0.0 110.702 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -70.82 -68.38 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.193 2.595 . . . . 0.0 113.651 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 tp -167.95 -56.94 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.5 1.52 . . . . 0.0 111.882 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.06 -38.4 3.94 Favored 'Trans proline' 0 C--N 1.353 0.765 0 CA-C-N 121.647 1.624 . . . . 0.0 112.856 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mt -69.58 -25.64 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.074 0.95 . . . . 0.0 111.284 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.98 -26.6 60.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.16 0.984 . . . . 0.0 112.631 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -56.29 -43.36 78.79 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.79 1.177 . . . . 0.0 112.206 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -61.02 -41.72 97.1 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.829 -0.544 . . . . 0.0 111.428 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -59.57 -50.63 73.15 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.889 -0.577 . . . . 0.0 111.357 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -57.78 -43.52 85.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.941 0.791 . . . . 0.0 112.247 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -67.05 -44.38 80.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.399 0.999 . . . . 0.0 112.787 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -50.06 50.09 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.542 -0.724 . . . . 0.0 111.652 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.46 -40.88 92.8 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.118 1.767 . . . . 0.0 110.949 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -61.07 -50.09 74.68 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.389 1.076 . . . . 0.0 112.372 171.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -60.08 -43.05 95.76 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.773 0.715 . . . . 0.0 111.894 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.93 -48.32 77.02 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.317 1.047 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.7 78.46 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 t -68.1 -42.1 80.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.173 0.989 . . . . 0.0 112.249 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.5 t -69.65 -37.84 76.9 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.047 1.339 . . . . 0.0 112.945 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -116.49 71.99 0.8 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.073 2.149 . . . . 0.0 110.832 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -52.63 112.53 2.17 Favored Glycine 0 CA--C 1.535 1.303 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 169.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -60.16 164.94 3.73 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.782 1.233 . . . . 0.0 112.464 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -62.28 117.57 6.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.568 0.747 . . . . 0.0 110.918 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.5 m -124.31 15.18 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 125.763 1.625 . . . . 0.0 112.111 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.6 mtm105 -57.25 155.03 9.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.612 1.165 . . . . 0.0 111.827 171.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -138.39 146.85 42.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.842 1.657 . . . . 0.0 109.719 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -138.32 132.0 30.91 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.739 1.216 . . . . 0.0 109.78 -173.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.254 1.34 0 C-N-CA 125.822 1.649 . . . . 0.0 111.583 -169.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -149.19 166.61 28.32 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.097 1.359 . . . . 0.0 111.025 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.59 149.69 38.43 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.537 -0.727 . . . . 0.0 111.668 167.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -64.89 160.59 20.17 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.199 1.0 . . . . 0.0 112.772 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.4 p -139.81 169.93 16.81 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.601 1.56 . . . . 0.0 111.733 -177.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 p -65.74 -20.0 66.11 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t 37.96 61.36 4.35 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 127.005 2.122 . . . . 0.0 114.687 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -67.21 127.54 16.87 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.486 2.791 . . . . 0.0 112.144 -173.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -158.88 160.97 36.74 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.905 1.682 . . . . 0.0 111.122 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.81 159.89 38.57 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 123.993 0.806 . . . . 0.0 113.739 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.31 134.12 46.53 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.897 0.879 . . . . 0.0 112.464 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -141.48 -34.95 0.47 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.833 1.253 . . . . 0.0 114.077 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 45.43 48.4 10.74 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.892 1.677 . . . . 0.0 115.05 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.62 1.22 1.84 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -176.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -59.03 -13.24 6.07 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 -171.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -93.29 -5.03 50.65 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.242 1.417 . . . . 0.0 114.001 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.2 tt -132.07 -31.82 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.527 1.531 . . . . 0.0 112.944 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.95 170.47 15.3 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.271 1.828 . . . . 0.0 109.924 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -130.76 144.67 51.61 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.106 1.362 . . . . 0.0 109.229 167.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.44 133.72 55.56 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.412 1.485 . . . . 0.0 110.048 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -92.94 115.46 28.15 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.347 1.059 . . . . 0.0 110.624 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.3 p -62.93 -7.03 4.41 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -128.78 2.82 5.42 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.65 1.58 . . . . 0.0 113.977 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.2 m -130.03 -28.35 2.18 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.846 1.258 . . . . 0.0 113.62 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.56 -5.62 36.17 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.3 1.429 . . . . 0.0 116.074 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -68.19 156.57 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.254 1.422 . . . . 0.0 111.773 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -123.25 126.48 47.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.52 1.528 . . . . 0.0 110.037 173.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -122.93 148.5 54.17 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.897 1.279 . . . . 0.0 110.131 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.36 -76.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.103 2.535 . . . . 0.0 112.936 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mt -161.56 -56.34 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 125.648 1.579 . . . . 0.0 112.208 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.24 -1.79 11.73 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 123.387 2.725 . . . . 0.0 114.898 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.6 mt -114.04 -25.07 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.676 1.59 . . . . 0.0 110.494 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.4 tp -56.31 -41.27 75.71 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.285 1.034 . . . . 0.0 112.122 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -55.03 -43.72 73.98 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -66.02 -40.75 91.33 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.028 0.831 . . . . 0.0 112.031 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -61.82 -48.37 80.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.666 0.666 . . . . 0.0 110.871 170.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -60.63 -39.42 88.18 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.224 1.01 . . . . 0.0 112.967 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -64.82 -47.36 78.29 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.356 0.98 . . . . 0.0 112.596 172.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -66.27 -46.04 78.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.645 0.778 . . . . 0.0 112.805 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.1 t -60.54 -45.21 94.7 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.355 1.862 . . . . 0.0 110.258 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -64.11 -43.13 96.28 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.214 1.006 . . . . 0.0 112.928 172.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -58.71 -49.29 78.14 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.347 0.976 . . . . 0.0 111.297 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.99 -48.72 80.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.328 0.651 . . . . 0.0 111.569 177.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.04 85.61 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -67.48 -45.21 76.55 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.483 1.113 . . . . 0.0 112.103 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 m -69.48 -29.9 67.66 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -76.53 45.98 0.42 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.188 1.795 . . . . 0.0 112.568 173.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.19 1.24 84.47 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.163 1.364 . . . . 0.0 115.022 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -149.38 119.58 7.27 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.668 1.587 . . . . 0.0 110.373 -173.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -63.22 151.54 40.13 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.988 1.315 . . . . 0.0 113.078 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -105.2 17.98 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.31 1.444 . . . . 0.0 113.557 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 52.52 34.52 15.67 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.558 1.943 . . . . 0.0 113.447 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -149.95 152.21 34.61 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.191 1.396 . . . . 0.0 111.755 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -75.99 -33.16 59.72 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.307 1.043 . . . . 0.0 113.697 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.255 1.349 0 C-N-CA 128.344 2.658 . . . . 0.0 115.054 -177.612 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -143.8 26.1 1.58 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.945 1.698 . . . . 0.0 112.212 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -83.68 0.09 48.47 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.367 1.467 . . . . 0.0 113.808 -172.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -64.32 117.82 7.79 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.044 1.337 . . . . 0.0 112.411 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.3 p -141.43 53.31 1.53 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.634 1.573 . . . . 0.0 111.82 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 m -104.77 47.8 0.86 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.544 1.538 . . . . 0.0 112.435 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.4 p -136.51 71.94 58.27 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 125.962 1.705 . . . . 0.0 112.191 -175.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -74.33 68.16 5.19 Favored 'Trans proline' 0 CA--C 1.549 1.257 0 C-N-CA 125.123 3.882 . . . . 0.0 113.37 -175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -147.65 128.34 14.24 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.506 1.522 . . . . 0.0 111.582 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.49 -78.77 0.22 Allowed Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.892 1.234 . . . . 0.0 113.124 169.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 48.61 30.25 2.44 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.898 2.079 . . . . 0.0 115.556 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 161.59 7.81 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.107 1.763 . . . . 0.0 114.748 -176.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.07 -24.13 12.07 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.661 1.184 . . . . 0.0 113.452 173.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.53 30.37 0.63 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.875 1.67 . . . . 0.0 114.052 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -62.04 -15.61 45.86 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.69 -1.256 . . . . 0.0 114.277 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.76 -14.08 59.7 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.307 1.443 . . . . 0.0 114.028 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.92 -42.88 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.251 1.42 . . . . 0.0 111.03 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 mt -63.5 141.81 58.63 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.33 0.652 . . . . 0.0 111.077 170.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.26 125.12 28.62 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.468 1.107 . . . . 0.0 110.16 -176.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.71 139.31 32.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.125 1.37 . . . . 0.0 112.874 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -76.61 120.51 21.9 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.843 0.857 . . . . 0.0 109.903 166.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.6 p -66.79 -6.86 17.67 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -118.81 -14.06 9.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.076 1.35 . . . . 0.0 113.076 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.7 m -122.73 -22.2 5.41 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.649 1.179 . . . . 0.0 113.898 -175.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.16 -15.07 9.3 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.378 1.466 . . . . 0.0 116.007 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.2 tt -67.46 148.89 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.172 1.389 . . . . 0.0 111.825 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mp -112.4 134.08 54.14 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.599 1.56 . . . . 0.0 110.064 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.24 150.21 66.45 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.923 1.289 . . . . 0.0 110.661 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.52 -63.47 0.04 OUTLIER 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.1 2.533 . . . . 0.0 113.688 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -169.06 -59.24 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 125.251 1.42 . . . . 0.0 111.913 -176.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.48 -29.04 37.99 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.223 1.949 . . . . 0.0 113.437 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 mt -86.22 -29.22 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.379 1.072 . . . . 0.0 111.367 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -44.68 90.31 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.967 0.907 . . . . 0.0 110.695 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -55.81 -48.97 74.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.308 0.643 . . . . 0.0 111.833 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -61.53 -42.89 99.49 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.879 -0.513 . . . . 0.0 112.265 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -60.52 -43.83 96.69 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.332 0.515 . . . . 0.0 111.74 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -63.99 -41.13 97.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.265 1.026 . . . . 0.0 112.671 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -63.08 -36.98 85.39 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.817 0.735 . . . . 0.0 112.153 172.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -71.39 -43.96 65.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.489 0.716 . . . . 0.0 112.032 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 m -54.83 -48.03 73.36 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.383 1.073 . . . . 0.0 111.483 169.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -56.7 -49.49 74.97 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.269 1.028 . . . . 0.0 112.532 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -61.98 -47.2 85.87 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.999 0.52 . . . . 0.0 111.994 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.57 -48.72 79.66 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.338 0.655 . . . . 0.0 112.173 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.47 87.41 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -72.74 -36.05 67.66 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.667 0.787 . . . . 0.0 112.63 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.4 t -69.84 -44.34 70.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.256 1.022 . . . . 0.0 112.185 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -154.63 94.43 1.68 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.578 1.551 . . . . 0.0 112.613 -176.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.57 7.56 20.22 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.136 1.351 . . . . 0.0 114.576 176.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.79 -9.37 0.54 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.216 1.807 . . . . 0.0 115.138 -175.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -120.8 38.43 4.04 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.269 1.827 . . . . 0.0 110.529 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.6 m -71.11 16.62 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 127.196 2.198 . . . . 0.0 114.415 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -130.16 137.07 49.92 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.233 2.213 . . . . 0.0 109.749 -176.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.6 p30 -130.07 -12.86 4.09 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.46 1.504 . . . . 0.0 113.723 -176.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -143.86 141.82 30.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.653 1.981 . . . . 0.0 109.308 169.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.688 1.595 . . . . 0.0 113.451 -175.361 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.426 0 N-CA-C 111.416 -0.673 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -135.52 160.91 37.0 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.533 1.533 . . . . 0.0 110.953 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -142.82 107.23 4.78 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.363 1.065 . . . . 0.0 111.28 -173.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -82.32 79.39 8.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.848 1.259 . . . . 0.0 111.643 -176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -128.2 21.71 6.19 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.8 1.64 . . . . 0.0 112.661 -172.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 p -132.15 49.49 2.32 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.456 1.902 . . . . 0.0 112.497 -167.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m -128.74 157.3 75.76 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 126.084 1.753 . . . . 0.0 112.533 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.71 -17.12 29.75 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.586 2.857 . . . . 0.0 114.099 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -148.16 164.18 34.7 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.436 1.894 . . . . 0.0 111.196 176.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.71 153.79 16.95 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.096 0.855 . . . . 0.0 113.053 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -162.36 -179.7 7.19 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.515 1.926 . . . . 0.0 110.897 -177.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -137.81 139.21 39.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.509 1.124 . . . . 0.0 110.623 172.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.82 28.71 2.63 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.306 1.442 . . . . 0.0 112.324 -176.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.89 8.95 32.4 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.369 1.468 . . . . 0.0 113.813 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -73.8 61.21 0.75 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.613 1.965 . . . . 0.0 113.312 -176.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 53.43 28.55 7.67 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.656 1.982 . . . . 0.0 114.637 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -117.4 -27.52 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 126.368 1.867 . . . . 0.0 112.732 -175.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -138.17 161.45 36.8 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.445 1.898 . . . . 0.0 110.356 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -127.12 134.75 50.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.695 1.598 . . . . 0.0 109.734 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -107.27 145.61 32.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.459 1.504 . . . . 0.0 111.256 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.4 t -104.17 125.05 50.15 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.111 1.364 . . . . 0.0 110.555 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.5 p -64.79 -10.9 31.28 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.81 1.782 . . . . 0.0 115.81 -170.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -117.17 0.28 12.27 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.334 1.454 . . . . 0.0 113.353 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 m -128.49 -31.47 2.26 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -170.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.39 -19.28 3.11 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 125.653 1.597 . . . . 0.0 116.176 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 tp -62.97 153.07 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.465 1.506 . . . . 0.0 111.874 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.41 128.83 55.0 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.98 1.712 . . . . 0.0 109.783 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.21 146.09 48.16 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.048 1.339 . . . . 0.0 110.824 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -71.97 -69.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.064 2.509 . . . . 0.0 113.923 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.81 -56.15 0.01 OUTLIER Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.888 1.275 . . . . 0.0 112.925 -177.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -69.83 -36.11 11.22 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.71 1.607 . . . . 0.0 112.707 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.0 mt -74.47 -29.27 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.227 1.011 . . . . 0.0 110.987 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -57.52 -28.33 63.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.048 -1.032 . . . . 0.0 112.848 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -54.61 -45.83 73.74 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.814 0.845 . . . . 0.0 113.057 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -66.7 -35.56 80.41 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.497 0.589 . . . . 0.0 111.749 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -68.95 -42.26 76.91 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.381 0.673 . . . . 0.0 111.72 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -47.14 87.16 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.718 0.807 . . . . 0.0 111.492 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.78 -39.1 90.66 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -63.56 -50.42 69.56 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.154 0.888 . . . . 0.0 112.704 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.1 m -58.87 -44.6 91.14 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.865 0.757 . . . . 0.0 111.903 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -58.24 -49.86 75.6 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.614 0.766 . . . . 0.0 112.247 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -62.43 -46.7 87.37 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.923 0.489 . . . . 0.0 111.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.5 tp -65.51 -42.69 91.79 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.816 0.846 . . . . 0.0 112.4 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.78 85.38 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.724 -0.61 . . . . 0.0 112.388 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -69.84 -44.81 69.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.022 0.929 . . . . 0.0 112.734 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.4 p -71.85 -33.54 68.52 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -77.73 56.68 1.53 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.116 1.766 . . . . 0.0 111.928 173.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -52.12 90.83 0.01 OUTLIER Glycine 0 CA--C 1.538 1.472 0 C-N-CA 127.245 2.355 . . . . 0.0 114.495 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -69.83 166.66 18.92 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.034 1.734 . . . . 0.0 112.936 -175.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -123.55 14.38 9.49 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.667 1.587 . . . . 0.0 113.723 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.4 m -58.24 159.42 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.984 1.313 . . . . 0.0 113.077 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -56.99 136.83 56.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.863 1.265 . . . . 0.0 111.025 174.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -142.45 94.99 2.72 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.063 1.345 . . . . 0.0 109.999 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -148.49 145.31 27.87 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.683 1.193 . . . . 0.0 111.032 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.256 1.41 0 C-N-CA 125.675 1.59 . . . . 0.0 113.982 -175.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -137.17 152.4 49.87 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.492 1.517 . . . . 0.0 111.287 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.33 163.37 27.53 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.947 0.899 . . . . 0.0 112.917 174.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -139.47 171.7 13.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.922 1.689 . . . . 0.0 111.128 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 t -59.24 154.12 17.05 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.16 0.584 . . . . 0.0 112.212 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -145.61 120.38 9.89 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.831 1.253 . . . . 0.0 110.001 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -137.02 59.15 20.83 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 125.394 1.477 . . . . 0.0 111.408 -172.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -69.09 164.29 34.46 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.594 2.863 . . . . 0.0 113.009 -176.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -64.41 164.07 12.09 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.174 1.39 . . . . 0.0 112.379 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.92 179.1 24.13 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.25 0.929 . . . . 0.0 113.861 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.64 153.82 19.15 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.791 1.236 . . . . 0.0 113.336 176.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -137.07 124.85 22.5 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.851 1.26 . . . . 0.0 111.177 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.34 43.97 0.32 Allowed 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 126.561 1.944 . . . . 0.0 114.437 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.12 -70.06 0.76 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.175 0.99 . . . . 0.0 112.554 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.63 27.22 0.98 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.132 1.773 . . . . 0.0 115.191 -175.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -133.06 -59.55 0.88 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.158 1.383 . . . . 0.0 111.929 -177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -44.04 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.425 0.69 . . . . 0.0 111.722 174.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.53 150.54 43.66 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.515 0.726 . . . . 0.0 111.084 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -123.8 141.25 52.2 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.324 1.45 . . . . 0.0 109.305 171.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 ptt85 -120.3 157.64 28.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.88 1.272 . . . . 0.0 112.061 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 t -100.2 124.33 45.49 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.732 1.213 . . . . 0.0 109.797 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 m -65.6 -3.95 5.37 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.381 1.473 . . . . 0.0 114.371 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -121.53 -42.47 2.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.61 1.564 . . . . 0.0 111.803 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.6 m -86.44 -25.78 25.04 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -174.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.98 -17.37 7.25 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.429 1.49 . . . . 0.0 116.601 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.9 tt -64.45 158.09 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.828 1.651 . . . . 0.0 112.565 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.03 133.59 53.62 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.074 1.75 . . . . 0.0 110.505 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -129.45 152.03 78.91 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.646 1.579 . . . . 0.0 110.689 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.21 -70.08 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.03 2.487 . . . . 0.0 113.249 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.5 tp -163.02 -58.18 0.01 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.093 1.357 . . . . 0.0 112.273 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -71.57 -36.32 6.79 Favored 'Trans proline' 0 C--N 1.354 0.853 0 CA-C-N 122.146 1.802 . . . . 0.0 113.613 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.53 -24.32 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.368 -0.832 . . . . 0.0 111.932 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 tp -56.87 -27.87 61.05 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.021 -1.049 . . . . 0.0 112.427 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -54.17 -46.94 72.46 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.919 0.888 . . . . 0.0 112.466 173.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -62.15 -39.43 92.58 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.712 -0.618 . . . . 0.0 111.613 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -64.44 -45.64 86.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -59.87 -46.03 90.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 118.504 0.593 . . . . 0.0 111.581 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.49 -41.65 98.94 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.735 0.698 . . . . 0.0 112.324 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -65.95 -48.78 70.19 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.402 1.001 . . . . 0.0 112.955 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.62 -47.34 82.46 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.796 0.839 . . . . 0.0 111.193 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -63.1 -43.32 98.81 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.818 0.847 . . . . 0.0 112.78 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -62.77 -45.9 90.52 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.777 0.717 . . . . 0.0 112.023 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.06 -41.33 95.23 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.514 -0.741 . . . . 0.0 111.284 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.52 94.32 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.0 p -77.95 -27.46 49.28 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.389 0.995 . . . . 0.0 113.413 176.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 t -73.09 -23.75 60.57 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.204 1.402 . . . . 0.0 113.663 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -120.24 -168.76 1.68 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.467 1.907 . . . . 0.0 111.33 -176.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.34 107.51 3.4 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.769 1.176 . . . . 0.0 112.66 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -146.09 170.63 16.28 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.69 1.996 . . . . 0.0 111.885 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -69.77 84.14 0.46 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.153 1.381 . . . . 0.0 111.716 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -112.22 -166.63 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.406 1.882 . . . . 0.0 110.756 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -127.11 154.26 44.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.074 1.35 . . . . 0.0 111.138 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.21 -20.04 66.01 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -105.42 -9.52 17.48 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.686 1.594 . . . . 0.0 113.758 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.432 1.493 . . . . 0.0 112.182 -175.084 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.5 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 p -74.11 -27.56 60.93 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.0 168.47 24.48 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.319 1.448 . . . . 0.0 111.828 166.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -107.47 -56.54 2.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.292 1.037 . . . . 0.0 111.789 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -168.87 158.99 9.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.878 2.071 . . . . 0.0 109.914 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -155.06 83.75 1.08 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.01 1.324 . . . . 0.0 110.516 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.0 m -138.59 61.27 23.31 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 125.461 1.505 . . . . 0.0 112.017 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -65.87 159.99 46.19 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.401 2.734 . . . . 0.0 112.184 177.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -130.51 40.45 3.51 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.145 1.378 . . . . 0.0 113.013 -174.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.29 -66.53 0.58 Allowed Glycine 0 N--CA 1.469 0.888 0 C-N-CA 126.253 1.882 . . . . 0.0 111.805 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -84.53 135.95 34.01 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.338 1.055 . . . . 0.0 110.948 170.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -69.74 -48.88 57.85 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.002 0.921 . . . . 0.0 112.642 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 39.64 54.22 2.46 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.868 2.067 . . . . 0.0 114.777 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.23 33.28 1.71 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -171.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -66.09 18.29 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 126.353 1.861 . . . . 0.0 115.779 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 t0 52.3 39.75 27.81 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.424 1.889 . . . . 0.0 114.037 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.28 -44.24 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.386 1.875 . . . . 0.0 111.018 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.56 147.76 40.44 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.552 1.141 . . . . 0.0 110.9 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.4 131.74 50.25 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.206 1.402 . . . . 0.0 109.087 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -105.69 139.47 40.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 112.315 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.6 t -81.06 123.23 28.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.786 0.834 . . . . 0.0 110.422 173.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -64.53 -14.42 57.32 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -113.35 -35.97 5.13 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.572 1.149 . . . . 0.0 112.708 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.8 m -91.71 -21.8 20.55 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -174.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.01 -15.52 5.15 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.807 1.67 . . . . 0.0 116.122 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.48 153.89 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.701 1.6 . . . . 0.0 112.379 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 mp -116.58 133.71 55.69 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.934 1.694 . . . . 0.0 110.136 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -127.93 151.03 75.12 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.35 1.46 . . . . 0.0 110.303 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.91 -68.72 0.02 OUTLIER 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.178 2.585 . . . . 0.0 113.22 -176.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.8 tp -161.39 -58.97 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.682 1.193 . . . . 0.0 113.064 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -69.21 -36.96 11.22 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 CA-C-N 121.866 1.702 . . . . 0.0 113.123 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.73 -27.95 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.547 0.739 . . . . 0.0 111.542 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.57 -43.48 84.58 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.328 -0.857 . . . . 0.0 111.235 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.92 -39.93 79.18 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.9 -42.95 94.31 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.746 -0.597 . . . . 0.0 112.096 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -60.5 -47.3 86.73 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.79 0.723 . . . . 0.0 110.833 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.74 -43.95 85.7 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.807 0.843 . . . . 0.0 112.27 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.52 -47.16 76.87 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -64.55 -46.89 80.88 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.285 0.948 . . . . 0.0 112.368 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.32 -44.22 97.01 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.449 1.5 . . . . 0.0 110.556 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.86 -45.74 92.49 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.306 1.042 . . . . 0.0 112.701 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -58.61 -48.26 81.58 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.78 0.718 . . . . 0.0 111.494 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.21 -44.14 92.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.772 0.829 . . . . 0.0 112.26 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.54 72.15 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.54 -0.725 . . . . 0.0 112.939 175.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -77.24 -46.85 21.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.371 1.068 . . . . 0.0 112.691 176.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.7 p -75.76 -27.83 58.23 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -136.41 57.72 1.76 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.973 2.109 . . . . 0.0 110.846 -176.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.93 34.23 0.39 Allowed Glycine 0 CA--C 1.542 1.722 0 C-N-CA 126.293 1.901 . . . . 0.0 116.046 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -64.44 159.99 20.17 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.102 1.761 . . . . 0.0 112.372 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -135.52 60.46 1.69 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.275 1.43 . . . . 0.0 111.245 -173.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.1 m -66.37 -10.75 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -62.9 125.26 23.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.207 1.803 . . . . 0.0 111.538 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -82.19 -58.38 2.98 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.075 0.55 . . . . 0.0 112.201 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -160.15 163.12 33.97 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.618 1.567 . . . . 0.0 111.83 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.737 1.615 . . . . 0.0 113.563 -179.751 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_