data_2mck_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 2mck _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 ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 110.853 -0.054 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.23 137.95 35.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.244 0.618 . . . . 0.0 110.571 170.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.57 152.62 37.87 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.968 1.307 . . . . 0.0 110.779 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -69.71 137.18 51.84 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.874 -0.516 . . . . 0.0 110.1 167.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.95 -23.01 18.87 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -151.56 168.74 23.98 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.414 1.086 . . . . 0.0 112.501 -168.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.82 -142.02 30.27 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 124.635 1.112 . . . . 0.0 113.993 172.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.12 -30.75 75.6 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.47 2.78 . . . . 0.0 113.98 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -116.4 15.51 15.74 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.707 1.203 . . . . 0.0 113.913 -165.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.52 121.93 7.17 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.286 0.948 . . . . 0.0 112.372 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.66 -6.84 81.72 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 125.493 1.52 . . . . 0.0 115.911 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.1 mt -81.97 150.85 66.13 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 119.766 1.783 . . . . 0.0 111.602 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -62.59 148.91 92.68 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.406 2.737 . . . . 0.0 112.652 172.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.03 -49.78 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.7 p -107.7 168.66 9.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.591 1.156 . . . . 0.0 113.144 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -39.44 68.51 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 121.051 -1.031 . . . . 0.0 111.724 169.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.2 m -72.74 -35.32 67.48 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.3 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.12 -43.54 95.58 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.714 1.143 . . . . 0.0 111.13 168.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.33 98.85 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.919 0.888 . . . . 0.0 112.56 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.4 ttp-105 -58.38 -44.7 89.01 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.691 0.796 . . . . 0.0 111.8 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.38 -36.7 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.581 0.752 . . . . 0.0 110.389 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -51.19 70.51 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.529 0.732 . . . . 0.0 111.996 171.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -57.26 -45.17 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.193 0.597 . . . . 0.0 110.169 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -65.15 -52.28 56.05 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -61.59 -42.51 98.96 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.206 0.912 . . . . 0.0 112.864 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.92 -43.96 97.77 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.827 -0.546 . . . . 0.0 111.468 174.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -62.01 -43.16 99.42 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.245 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.39 -46.38 86.5 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.426 1.921 . . . . 0.0 111.47 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.8 -50.42 71.08 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.54 -0.725 . . . . 0.0 111.846 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.55 -30.61 71.64 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.31 -0.869 . . . . 0.0 112.628 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -74.23 -34.17 63.59 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.51 1.924 . . . . 0.0 112.075 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.35 -33.97 76.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.452 0.701 . . . . 0.0 111.743 168.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.6 m -76.18 -37.18 58.19 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -140.09 98.77 7.5 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 126.571 1.948 . . . . 0.0 110.318 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.57 -13.4 37.22 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.1 2.533 . . . . 0.0 115.483 -162.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 10.4 p90 -79.25 -11.09 59.95 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.413 1.485 . . . . 0.0 114.912 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.81 124.9 13.63 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.304 1.042 . . . . 0.0 113.167 -165.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -93.36 139.2 30.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.436 1.095 . . . . 0.0 111.981 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -112.29 127.09 55.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.413 1.485 . . . . 0.0 110.265 -174.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -142.29 103.45 4.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.788 1.235 . . . . 0.0 109.953 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -148.81 46.79 1.02 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.9 p -59.9 165.33 3.27 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.336 0.655 . . . . 0.0 112.191 163.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.09 -43.97 70.82 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.282 -0.886 . . . . 0.0 111.101 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -49.15 78.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.17 0.988 . . . . 0.0 111.255 174.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.88 -36.93 85.55 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.598 0.635 . . . . 0.0 112.688 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 68.2 mt -65.37 -48.14 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.375 -0.821 . . . . 0.0 110.53 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -68.87 -25.48 64.65 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.925 1.239 . . . . 0.0 114.034 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -79.22 -43.24 24.21 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.247 1.019 . . . . 0.0 113.006 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -70.96 -41.08 71.53 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.462 1.105 . . . . 0.0 111.884 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -127.37 87.41 56.35 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 126.164 1.786 . . . . 0.0 110.269 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -69.92 -13.45 34.29 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.497 2.132 . . . . 0.0 114.086 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -73.74 -13.79 61.02 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.28 -20.78 63.01 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.518 1.054 . . . . 0.0 113.033 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.34 1.856 . . . . 0.0 111.876 -177.873 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.72 143.61 29.91 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.506 0.722 . . . . 0.0 111.519 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.3 mt -120.18 153.81 35.71 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.043 1.337 . . . . 0.0 110.9 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -70.75 132.58 45.57 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 164.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.0 -23.54 22.59 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -175.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -151.64 169.03 23.14 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.831 1.253 . . . . 0.0 112.287 -168.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.53 -143.88 30.93 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.496 1.046 . . . . 0.0 114.14 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.35 -31.63 81.48 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.553 2.835 . . . . 0.0 114.05 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.61 16.88 16.46 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.832 1.253 . . . . 0.0 113.774 -166.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.15 121.75 6.61 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.155 0.888 . . . . 0.0 112.445 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.76 -6.3 83.11 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 125.463 1.506 . . . . 0.0 115.837 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.5 mt -82.68 151.21 64.34 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 119.733 1.766 . . . . 0.0 111.559 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -61.22 148.67 92.25 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.22 2.613 . . . . 0.0 112.37 170.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.12 -45.67 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 118.998 -0.525 . . . . 0.0 112.353 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 p -114.52 169.31 9.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.63 1.172 . . . . 0.0 113.878 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -59.91 -37.92 80.82 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.379 1.072 . . . . 0.0 111.735 171.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 p -70.15 -38.3 75.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.758 0.823 . . . . 0.0 112.556 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -58.82 -46.91 86.55 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.976 1.262 . . . . 0.0 111.032 170.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.69 -44.14 93.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.802 0.841 . . . . 0.0 112.663 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -63.9 -40.66 97.02 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.355 -0.841 . . . . 0.0 112.609 174.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.44 -36.05 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 121.371 -0.83 . . . . 0.0 110.827 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.09 -49.45 77.25 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.641 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.96 -43.46 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 119.19 0.904 . . . . 0.0 110.383 176.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.33 -51.99 65.42 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -60.34 -44.93 95.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.802 0.841 . . . . 0.0 112.364 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -62.26 -46.88 86.85 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.596 0.758 . . . . 0.0 111.435 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -60.03 -41.9 93.23 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 123.59 0.756 . . . . 0.0 112.197 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.97 -42.48 99.18 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.126 1.33 . . . . 0.0 112.647 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -68.55 -46.92 68.2 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.486 -0.759 . . . . 0.0 111.771 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -60.75 -36.21 78.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.832 0.853 . . . . 0.0 111.452 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.34 -40.83 85.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.827 1.651 . . . . 0.0 112.082 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -61.65 -33.37 73.84 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.523 0.601 . . . . 0.0 112.582 172.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.4 m -76.07 -41.89 49.12 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 170.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.6 99.32 6.32 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 127.066 2.146 . . . . 0.0 110.174 -167.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.82 -8.34 22.2 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.419 2.746 . . . . 0.0 115.946 -160.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -81.16 2.09 29.08 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.913 1.685 . . . . 0.0 114.943 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 122.75 17.84 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.21 1.004 . . . . 0.0 113.49 -166.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -87.27 145.95 26.15 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.771 1.228 . . . . 0.0 112.342 172.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.86 123.76 43.34 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.002 1.321 . . . . 0.0 111.174 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -140.24 129.66 24.02 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.556 1.143 . . . . 0.0 110.452 166.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -159.45 40.35 0.21 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.637 1.175 . . . . 0.0 113.235 -174.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.8 p -62.09 164.55 6.61 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.302 1.041 . . . . 0.0 112.299 167.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -57.16 -32.93 66.91 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.014 -1.054 . . . . 0.0 112.029 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -51.13 70.52 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.622 0.769 . . . . 0.0 110.803 169.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.6 91.29 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.995 0.816 . . . . 0.0 112.739 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.93 -51.49 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 118.951 0.796 . . . . 0.0 110.748 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -70.58 -26.15 63.4 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.088 1.313 . . . . 0.0 113.883 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -72.32 -45.0 61.85 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.242 1.017 . . . . 0.0 112.559 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -84.11 -30.93 25.56 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.98 0.912 . . . . 0.0 113.402 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -131.53 84.38 55.79 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.661 1.984 . . . . 0.0 110.223 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -69.43 -14.17 36.7 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.519 2.146 . . . . 0.0 114.058 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -72.4 -13.65 61.51 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.71 -23.33 60.84 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.339 0.972 . . . . 0.0 113.227 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.743 1.617 . . . . 0.0 112.324 -178.074 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.39 144.3 28.89 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.826 0.85 . . . . 0.0 111.667 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.2 mt -121.49 154.91 35.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.079 1.351 . . . . 0.0 110.968 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -70.69 136.55 49.11 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.915 -0.491 . . . . 0.0 109.913 164.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.9 -22.12 20.23 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.87 171.34 17.38 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.775 1.23 . . . . 0.0 113.197 -168.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.33 -142.74 33.21 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.051 0.834 . . . . 0.0 113.918 172.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.18 -30.88 75.05 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.5 2.8 . . . . 0.0 113.993 -172.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.05 16.26 16.05 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.688 1.195 . . . . 0.0 113.875 -164.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.38 121.65 6.64 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.152 0.887 . . . . 0.0 112.327 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.01 -4.15 86.26 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.126 1.346 . . . . 0.0 115.899 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.7 mt -84.62 150.37 56.41 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 119.648 1.724 . . . . 0.0 111.63 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -62.29 148.76 92.68 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.473 2.782 . . . . 0.0 112.654 172.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.1 t -83.89 -47.93 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 p -110.94 169.03 9.04 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.745 1.218 . . . . 0.0 113.451 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.9 mtm105 -58.42 -37.39 75.26 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.224 -0.923 . . . . 0.0 111.826 169.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -66.8 -39.58 87.79 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.506 0.723 . . . . 0.0 112.129 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -61.26 -47.27 86.79 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.205 0.911 . . . . 0.0 110.902 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.66 92.26 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.73 0.812 . . . . 0.0 112.562 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -61.06 -45.42 94.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.478 1.111 . . . . 0.0 112.52 174.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.08 -34.4 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 118.621 0.646 . . . . 0.0 110.874 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.43 -51.65 68.59 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 118.732 -0.651 . . . . 0.0 111.34 170.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.8 mt -55.94 -47.19 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 118.575 0.625 . . . . 0.0 110.107 177.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -62.42 -56.78 14.94 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -71.28 -31.8 67.9 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.26 -50.72 72.52 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.769 -0.582 . . . . 0.0 110.318 167.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 48.4 t90 -57.37 -40.15 77.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.302 -0.856 . . . . 0.0 112.725 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.35 -46.91 85.38 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.303 1.41 . . . . 0.0 112.028 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -64.72 -46.17 83.45 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.44 -0.788 . . . . 0.0 111.351 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -62.42 -36.07 81.22 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.64 0.776 . . . . 0.0 110.972 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -69.99 -39.18 76.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.837 1.655 . . . . 0.0 112.49 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -63.82 -30.71 71.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.998 0.519 . . . . 0.0 112.184 171.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.8 t -77.1 -43.14 35.3 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 170.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -140.65 101.64 6.57 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 127.095 2.158 . . . . 0.0 110.52 -169.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.03 -9.36 24.47 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.42 2.747 . . . . 0.0 116.386 -159.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -84.46 3.55 35.75 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.049 1.739 . . . . 0.0 115.061 -176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 125.85 26.12 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -166.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -88.01 152.03 22.34 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.093 1.357 . . . . 0.0 112.593 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -127.74 129.88 47.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.977 1.311 . . . . 0.0 111.183 -173.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.22 118.2 13.37 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.258 1.423 . . . . 0.0 110.097 172.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -150.88 42.73 0.79 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.0 p -65.86 163.12 17.55 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.58 0.752 . . . . 0.0 110.677 166.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -58.6 -33.71 70.3 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.744 -1.222 . . . . 0.0 111.862 174.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -64.24 -46.41 83.93 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.155 0.982 . . . . 0.0 111.802 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.51 91.34 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.823 0.738 . . . . 0.0 112.202 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.24 -48.14 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.513 1.125 . . . . 0.0 110.358 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -64.07 -37.42 87.39 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.877 1.217 . . . . 0.0 113.456 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -72.48 -36.71 68.51 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -79.59 -36.62 37.82 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.372 1.069 . . . . 0.0 112.446 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -132.45 88.78 38.3 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 126.185 1.794 . . . . 0.0 110.819 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -69.29 -18.34 39.29 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.445 2.097 . . . . 0.0 113.684 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -69.51 -11.5 60.88 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.99 -10.17 59.27 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 119.191 0.905 . . . . 0.0 112.502 173.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 126.014 1.725 . . . . 0.0 112.263 173.821 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.572 0 CA-C-O 120.243 0.068 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.12 137.44 34.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.344 0.658 . . . . 0.0 110.632 168.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.6 mt -120.38 152.91 37.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.974 1.31 . . . . 0.0 110.813 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -69.34 134.51 49.17 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.936 -0.478 . . . . 0.0 110.023 167.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.79 -24.08 20.44 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -151.82 169.42 22.29 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.589 1.156 . . . . 0.0 112.418 -168.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.99 -142.83 30.15 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 124.49 1.043 . . . . 0.0 114.02 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -63.21 -30.99 74.82 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.479 2.786 . . . . 0.0 113.932 -171.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.43 16.09 15.67 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.821 1.248 . . . . 0.0 113.917 -165.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.06 122.21 7.23 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.161 0.892 . . . . 0.0 112.489 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.15 -7.43 80.61 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.485 1.516 . . . . 0.0 115.957 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.2 mt -81.81 150.78 66.52 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 119.731 1.766 . . . . 0.0 111.628 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -62.79 147.09 95.1 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.331 2.687 . . . . 0.0 112.208 171.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.2 t -81.16 -48.79 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.8 p -111.73 168.63 9.41 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.596 1.158 . . . . 0.0 113.597 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -52.85 -39.77 62.82 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.263 1.025 . . . . 0.0 111.841 168.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.0 m -66.69 -43.51 84.2 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.866 0.866 . . . . 0.0 111.701 175.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -60.36 -40.88 92.32 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.057 -1.027 . . . . 0.0 111.756 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.58 91.92 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.086 0.955 . . . . 0.0 112.522 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -55.05 -45.19 75.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.258 1.023 . . . . 0.0 111.816 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.9 t -72.45 -38.43 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.394 0.678 . . . . 0.0 110.577 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -51.46 69.36 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.488 0.715 . . . . 0.0 111.825 172.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -55.74 -46.83 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.348 0.659 . . . . 0.0 110.285 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -63.21 -53.79 47.55 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -71.73 -33.47 68.74 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.018 -1.051 . . . . 0.0 113.307 -175.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.1 -44.01 95.14 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.875 -0.516 . . . . 0.0 111.101 167.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -62.32 -40.38 96.14 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.84 171.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.89 -44.0 91.07 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 121.139 1.79 . . . . 0.0 111.643 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.67 -50.0 66.56 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.535 -1.353 . . . . 0.0 112.032 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -61.39 -35.72 78.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.973 0.909 . . . . 0.0 112.25 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -68.2 -42.69 79.51 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.147 1.779 . . . . 0.0 111.725 174.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -63.07 -29.9 71.17 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.9 m -76.71 -43.38 37.71 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 168.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -138.61 102.9 7.78 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.861 2.064 . . . . 0.0 110.462 -169.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -72.32 -11.69 26.92 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.256 2.638 . . . . 0.0 115.648 -161.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -79.08 -3.47 45.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.531 1.532 . . . . 0.0 114.849 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 118.23 6.28 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -165.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 126.17 34.41 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.289 1.035 . . . . 0.0 110.77 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -95.72 124.5 39.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.657 1.583 . . . . 0.0 111.619 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -128.31 128.82 45.31 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.572 1.549 . . . . 0.0 109.303 163.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -152.73 44.72 0.68 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.89 0.852 . . . . 0.0 113.048 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.5 m -59.52 150.34 27.22 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.512 0.725 . . . . 0.0 110.856 168.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -60.11 -34.77 73.96 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.974 -1.079 . . . . 0.0 112.52 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -62.77 -42.67 99.79 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.695 0.798 . . . . 0.0 111.507 172.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.7 91.92 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.892 0.769 . . . . 0.0 112.108 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 98.5 mt -59.42 -51.47 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.103 0.961 . . . . 0.0 110.057 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -69.96 -29.68 66.86 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -77.02 -40.3 47.04 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.559 1.072 . . . . 0.0 112.993 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -77.16 -36.85 54.83 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.113 0.965 . . . . 0.0 112.135 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -125.99 85.59 59.22 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.595 1.558 . . . . 0.0 110.664 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -68.36 -17.73 44.26 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.447 2.098 . . . . 0.0 113.713 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -67.98 -12.92 61.67 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.77 -10.42 58.3 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.086 0.857 . . . . 0.0 112.854 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.846 1.658 . . . . 0.0 112.147 170.48 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.372 0.13 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.25 142.33 31.21 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.581 0.753 . . . . 0.0 110.743 167.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.6 mt -121.58 153.53 37.92 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.911 1.284 . . . . 0.0 111.158 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.54 135.96 47.29 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.992 -0.442 . . . . 0.0 110.049 165.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.57 -22.48 20.31 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -151.02 171.36 17.43 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.727 1.211 . . . . 0.0 113.313 -168.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.63 -142.89 33.03 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 124.046 0.832 . . . . 0.0 114.106 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.95 -30.33 76.68 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.516 2.811 . . . . 0.0 113.916 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -116.34 15.81 15.78 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.755 1.222 . . . . 0.0 113.874 -165.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.64 122.41 8.06 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 119.337 0.971 . . . . 0.0 112.465 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.92 -6.58 80.63 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.349 1.452 . . . . 0.0 115.773 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.7 mt -80.81 150.37 69.18 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-N 119.653 1.727 . . . . 0.0 111.637 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -61.88 147.46 95.17 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.351 2.7 . . . . 0.0 112.239 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.71 -47.34 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 121.846 -0.534 . . . . 0.0 112.431 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -111.32 167.62 10.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 113.45 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -57.74 -37.23 73.25 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.265 -0.897 . . . . 0.0 111.591 171.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.3 m -65.43 -44.64 86.71 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.113 0.965 . . . . 0.0 111.684 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -58.2 -43.06 87.44 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.584 1.084 . . . . 0.0 111.646 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.33 99.08 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -62.71 -39.91 95.5 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.313 -0.867 . . . . 0.0 112.213 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.27 -41.02 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.165 0.986 . . . . 0.0 110.195 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.8 -50.71 72.34 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.735 174.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.82 -46.02 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 118.42 0.555 . . . . 0.0 110.386 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -65.48 -54.27 30.75 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -58.72 -45.76 88.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.448 0.699 . . . . 0.0 112.236 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.48 -51.72 67.5 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.933 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -53.63 -42.88 68.23 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.753 1.161 . . . . 0.0 112.374 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -61.91 -43.47 98.77 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.785 1.175 . . . . 0.0 111.529 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.09 -41.88 81.19 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 121.075 -1.015 . . . . 0.0 113.062 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? -60.49 -35.67 76.48 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.772 -1.205 . . . . 0.0 110.96 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -70.27 -37.59 74.92 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.263 1.425 . . . . 0.0 111.963 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -61.89 -35.26 77.81 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.352 0.524 . . . . 0.0 111.813 169.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -73.26 -43.38 61.19 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 171.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -138.95 104.34 7.4 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.808 2.043 . . . . 0.0 110.454 -171.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.38 -18.62 44.05 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.22 2.613 . . . . 0.0 116.014 -158.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.7 p90 -81.98 -3.1 53.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.63 1.972 . . . . 0.0 115.39 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 124.91 18.07 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.434 1.093 . . . . 0.0 113.638 -164.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.6 mtm180 -90.3 144.27 25.99 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.638 1.175 . . . . 0.0 112.869 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -119.95 129.44 54.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.198 1.399 . . . . 0.0 111.222 -170.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -138.65 114.9 10.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.18 1.392 . . . . 0.0 110.837 174.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -150.45 43.79 0.85 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 t -53.57 152.24 5.21 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.907 0.883 . . . . 0.0 110.992 160.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -54.8 -35.1 63.5 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.079 -1.013 . . . . 0.0 112.388 171.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -64.83 -38.71 91.9 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.384 0.674 . . . . 0.0 111.884 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.32 79.87 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.394 0.678 . . . . 0.0 112.118 174.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.1 mm -59.2 -51.73 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 119.293 0.951 . . . . 0.0 110.233 170.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.36 -28.68 67.33 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -75.3 -40.67 58.31 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.304 0.956 . . . . 0.0 113.106 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -78.52 -34.13 47.48 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.126 0.971 . . . . 0.0 112.763 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -133.21 91.65 27.16 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.356 1.863 . . . . 0.0 110.17 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.45 -15.16 31.08 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.576 2.184 . . . . 0.0 114.134 -174.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -74.67 -12.69 60.49 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.47 -24.56 60.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.364 0.984 . . . . 0.0 112.998 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.288 0 C-N-CA 124.753 1.221 . . . . 0.0 112.536 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.78 147.42 23.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.015 1.326 . . . . 0.0 111.805 172.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.6 mt -123.11 155.73 36.38 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.132 1.373 . . . . 0.0 111.298 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -70.71 136.97 49.34 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.965 -0.46 . . . . 0.0 109.888 164.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.55 -22.71 19.37 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -151.39 168.35 25.1 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.456 1.102 . . . . 0.0 112.493 -168.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.22 -143.16 31.51 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 124.672 1.13 . . . . 0.0 114.027 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.08 -31.99 83.51 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.541 2.827 . . . . 0.0 113.936 -171.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -115.31 16.24 16.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.711 1.204 . . . . 0.0 113.796 -165.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.45 122.05 7.32 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.156 0.889 . . . . 0.0 112.228 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.61 -3.69 86.81 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 125.201 1.381 . . . . 0.0 115.827 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.4 mt -85.44 150.99 55.44 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 119.65 1.725 . . . . 0.0 111.596 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -63.45 149.13 91.92 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.493 2.795 . . . . 0.0 112.588 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.7 t -84.36 -46.43 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 p -112.02 169.48 8.82 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.734 1.214 . . . . 0.0 113.457 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -53.91 -42.16 68.43 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 121.297 -0.877 . . . . 0.0 111.895 167.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.6 m -65.94 -39.78 90.79 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.677 0.791 . . . . 0.0 111.855 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.89 -47.25 87.25 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.088 0.858 . . . . 0.0 111.203 172.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.8 98.09 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.717 0.807 . . . . 0.0 112.544 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -61.7 -42.56 99.1 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.469 1.108 . . . . 0.0 112.013 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.09 -33.2 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.852 0.861 . . . . 0.0 111.319 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.51 -49.1 78.08 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.82 0.736 . . . . 0.0 111.415 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.2 mt -56.19 -46.07 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 122.924 0.49 . . . . 0.0 110.42 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -62.61 -53.62 51.86 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -62.22 -42.86 99.69 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.738 0.699 . . . . 0.0 112.253 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.47 -46.24 89.4 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.035 0.534 . . . . 0.0 111.648 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.37 -44.88 89.05 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 118.688 -0.672 . . . . 0.0 112.21 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.84 -44.19 90.6 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.799 1.182 . . . . 0.0 111.746 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.65 -46.84 80.79 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.289 -0.882 . . . . 0.0 111.889 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -62.98 -28.86 70.38 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 117.62 -1.181 . . . . 0.0 112.245 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.32 -37.01 71.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.696 1.589 . . . . 0.0 111.751 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -62.0 -33.28 74.04 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.603 0.638 . . . . 0.0 111.836 168.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -75.64 -37.84 59.37 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 169.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -143.41 95.97 5.85 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 127.005 2.122 . . . . 0.0 110.623 -167.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.18 -9.81 27.32 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.179 2.586 . . . . 0.0 115.91 -163.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 11.0 p90 -82.68 -1.4 51.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.001 1.72 . . . . 0.0 115.106 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.68 123.74 18.33 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.297 1.039 . . . . 0.0 113.552 -167.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.75 151.79 25.03 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.541 1.136 . . . . 0.0 112.586 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -130.38 123.3 29.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.789 1.236 . . . . 0.0 110.346 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -137.05 119.99 16.42 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.728 1.211 . . . . 0.0 110.317 171.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -149.66 41.24 0.85 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.5 t -66.03 159.92 24.87 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.475 0.71 . . . . 0.0 111.039 163.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -57.33 -33.01 67.29 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.81 -1.182 . . . . 0.0 113.32 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -62.34 -39.92 94.67 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.562 0.745 . . . . 0.0 111.74 172.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.8 76.15 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.673 -0.642 . . . . 0.0 111.922 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.12 -51.46 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.202 0.91 . . . . 0.0 110.502 171.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -67.3 -34.22 76.93 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -73.75 -34.16 64.62 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -83.42 -33.96 25.6 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.016 0.927 . . . . 0.0 113.002 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -133.85 89.47 29.83 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 126.576 1.95 . . . . 0.0 110.463 -178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -70.32 -18.36 34.43 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.348 2.032 . . . . 0.0 113.802 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -70.09 -10.64 59.41 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.34 -9.48 58.2 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.177 0.898 . . . . 0.0 112.405 173.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 . . . . . 0 C--O 1.255 1.352 0 C-N-CA 125.758 1.623 . . . . 0.0 111.917 167.535 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 120.429 0.157 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.71 143.2 28.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.919 0.888 . . . . 0.0 111.342 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.5 mt -122.55 155.25 36.66 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.026 1.331 . . . . 0.0 111.041 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -70.96 137.47 49.19 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 122.002 -0.436 . . . . 0.0 109.88 164.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.54 -22.44 18.83 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -151.26 167.94 26.28 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.534 1.133 . . . . 0.0 112.649 -168.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.28 -141.27 29.74 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.641 1.115 . . . . 0.0 114.048 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.64 -31.41 79.35 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.561 2.84 . . . . 0.0 113.956 -171.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.88 15.22 16.31 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.677 1.191 . . . . 0.0 113.907 -165.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.1 121.96 7.69 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.193 0.906 . . . . 0.0 112.294 -176.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.06 -4.61 85.75 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 125.209 1.385 . . . . 0.0 115.871 -176.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.95 149.79 60.23 Favored Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 119.654 1.727 . . . . 0.0 111.619 173.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -63.45 147.33 93.38 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.363 2.708 . . . . 0.0 112.276 173.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.62 -48.68 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 118.344 0.52 . . . . 0.0 112.384 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.5 p -110.24 169.12 8.94 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.507 1.123 . . . . 0.0 113.758 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -57.52 -37.02 72.35 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 121.487 -0.758 . . . . 0.0 111.826 169.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 m -66.58 -41.81 87.95 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.155 0.982 . . . . 0.0 111.761 174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -61.35 -44.04 97.86 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.028 0.831 . . . . 0.0 111.301 173.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.23 97.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.658 0.783 . . . . 0.0 112.484 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 50.8 ttm-85 -59.82 -44.16 94.17 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.344 1.057 . . . . 0.0 112.173 173.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.74 -37.07 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.558 0.743 . . . . 0.0 110.813 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.07 -50.76 71.99 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.557 0.617 . . . . 0.0 111.676 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.15 -43.46 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 118.517 0.599 . . . . 0.0 109.969 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -62.28 -50.35 72.05 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -64.06 -43.98 93.81 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.356 -0.84 . . . . 0.0 112.003 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.76 -45.51 92.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.997 0.919 . . . . 0.0 111.592 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.8 t90 -56.79 -51.0 70.65 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.608 0.763 . . . . 0.0 111.871 171.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -63.85 -41.57 97.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.443 1.02 . . . . 0.0 111.954 -174.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.06 -49.45 75.94 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.351 -0.843 . . . . 0.0 111.69 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -65.47 -24.86 67.26 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.214 -0.929 . . . . 0.0 112.323 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -74.76 -35.84 62.58 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.122 1.369 . . . . 0.0 112.339 173.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.9 mmt85 -63.13 -33.43 75.44 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.537 0.608 . . . . 0.0 111.44 167.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.6 m -73.78 -42.89 60.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 169.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -143.34 102.97 5.08 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.709 2.004 . . . . 0.0 110.713 -169.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.87 -10.27 26.02 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.31 2.673 . . . . 0.0 116.399 -159.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.4 p90 -84.45 0.31 50.06 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.057 1.743 . . . . 0.0 115.245 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.0 126.29 26.85 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.495 1.118 . . . . 0.0 113.508 -167.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -74.74 153.89 38.62 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.362 1.065 . . . . 0.0 113.07 170.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -126.66 98.63 5.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.864 1.265 . . . . 0.0 109.824 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -122.77 94.15 4.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.773 1.229 . . . . 0.0 110.224 -171.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -144.26 57.21 1.32 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.123 0.969 . . . . 0.0 112.818 -172.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.7 p -60.92 164.75 4.61 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.144 -0.972 . . . . 0.0 111.083 163.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.7 -38.69 75.65 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.6 -1.312 . . . . 0.0 111.374 173.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.87 -46.16 90.19 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.581 1.152 . . . . 0.0 111.618 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.33 89.74 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.603 0.638 . . . . 0.0 112.339 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.05 -44.94 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.642 1.11 . . . . 0.0 110.383 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -67.96 -31.94 72.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.572 1.078 . . . . 0.0 113.682 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -75.94 -38.74 57.27 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.922 -1.111 . . . . 0.0 113.136 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -70.61 -39.59 73.67 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.806 1.242 . . . . 0.0 111.675 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -136.02 90.83 18.05 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 126.036 1.734 . . . . 0.0 110.665 -174.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.31 -18.97 38.87 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.531 2.154 . . . . 0.0 113.884 -176.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -70.4 -10.41 59.0 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.91 -10.1 59.01 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.355 0.979 . . . . 0.0 112.45 172.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 . . . . . 0 C--O 1.257 1.458 0 C-N-CA 125.617 1.567 . . . . 0.0 111.524 164.353 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.79 139.96 34.49 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.56 0.744 . . . . 0.0 110.827 170.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.5 mt -120.51 151.86 38.8 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.781 1.232 . . . . 0.0 111.118 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -69.09 137.06 53.19 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.026 0.531 . . . . 0.0 110.322 168.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.37 -22.26 19.04 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -151.69 168.54 24.68 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.406 1.082 . . . . 0.0 112.59 -167.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.31 -143.98 32.53 Favored Glycine 0 CA--C 1.543 1.807 0 C-N-CA 124.609 1.099 . . . . 0.0 114.177 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -62.52 -30.43 79.68 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.532 2.822 . . . . 0.0 113.977 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -115.65 14.88 16.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.737 1.215 . . . . 0.0 113.915 -165.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.21 122.83 8.32 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.4 1.0 . . . . 0.0 112.45 -177.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.48 -7.78 77.57 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.436 1.493 . . . . 0.0 115.854 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.8 mt -80.83 151.79 71.24 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 119.682 1.741 . . . . 0.0 111.524 173.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -61.68 146.69 96.57 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.2 2.6 . . . . 0.0 112.274 170.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 t -80.12 -49.36 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 119.002 -0.523 . . . . 0.0 112.235 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.5 p -110.43 168.68 9.27 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.49 1.116 . . . . 0.0 113.543 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -55.32 -39.5 70.04 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.564 1.145 . . . . 0.0 112.021 169.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.3 m -67.2 -41.29 86.05 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.971 0.909 . . . . 0.0 112.024 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -60.94 -43.73 98.24 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.25 -0.907 . . . . 0.0 111.395 173.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.32 97.55 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.845 0.858 . . . . 0.0 112.42 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -59.43 -42.95 93.07 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.185 0.994 . . . . 0.0 111.991 172.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.9 t -74.75 -30.63 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.206 -0.934 . . . . 0.0 111.249 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -49.41 76.08 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.051 0.94 . . . . 0.0 111.987 169.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.62 -44.41 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 122.784 0.434 . . . . 0.0 110.104 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.75 -51.23 67.93 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -60.21 -45.45 93.13 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.398 -0.814 . . . . 0.0 112.646 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.43 -52.43 65.26 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.65 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -53.78 -44.2 69.88 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.477 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.7 -47.14 85.55 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 120.13 1.332 . . . . 0.0 112.012 174.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.46 -48.7 80.6 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.627 1.103 . . . . 0.0 111.755 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -62.16 -32.34 72.95 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.622 0.769 . . . . 0.0 111.681 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -75.34 -36.06 61.09 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.701 1.137 . . . . 0.0 112.035 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -69.67 -26.52 64.43 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.496 1.118 . . . . 0.0 111.851 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.0 p -87.38 -34.88 18.63 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 166.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -135.25 100.76 11.46 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 126.483 1.913 . . . . 0.0 111.218 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.26 -19.72 49.92 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.802 3.002 . . . . 0.0 116.45 -156.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.0 p90 -76.49 -4.47 42.79 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.456 1.902 . . . . 0.0 115.466 -174.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 120.21 7.98 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -164.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -85.18 138.38 32.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.493 1.517 . . . . 0.0 112.64 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -110.26 127.81 55.19 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.372 1.469 . . . . 0.0 111.362 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -138.91 122.82 17.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.634 1.574 . . . . 0.0 109.568 163.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -148.69 39.24 0.86 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.6 t -64.64 160.45 19.75 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.775 0.83 . . . . 0.0 111.317 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -59.92 -34.41 73.18 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.805 -1.185 . . . . 0.0 113.256 -171.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -64.96 -39.36 93.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.544 -0.722 . . . . 0.0 111.857 171.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.16 79.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.784 0.72 . . . . 0.0 111.967 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.7 mm -59.12 -54.1 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 118.956 0.798 . . . . 0.0 110.473 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -67.46 -30.21 69.86 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -75.37 -37.72 60.42 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.327 -0.858 . . . . 0.0 113.041 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -79.24 -37.38 38.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.043 0.937 . . . . 0.0 112.541 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.95 91.23 40.32 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 126.625 1.97 . . . . 0.0 110.263 -177.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.71 -15.53 30.18 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.522 2.148 . . . . 0.0 114.043 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -74.25 -11.58 60.32 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.56 -20.73 59.83 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.308 0.958 . . . . 0.0 112.838 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.363 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.411 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.534 0 CA-C-O 120.336 0.112 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.3 137.68 33.32 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.711 0.805 . . . . 0.0 110.602 168.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.4 mt -120.5 152.73 37.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.95 1.3 . . . . 0.0 110.728 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -69.11 135.12 50.25 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.937 -0.477 . . . . 0.0 110.092 167.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.19 -23.54 20.19 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -151.77 169.01 23.26 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.56 1.144 . . . . 0.0 112.359 -168.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.79 -143.05 30.67 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 124.621 1.105 . . . . 0.0 114.017 172.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.71 -31.63 78.79 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.487 2.792 . . . . 0.0 113.98 -171.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -115.87 16.31 16.24 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.793 1.237 . . . . 0.0 113.807 -165.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.98 122.17 7.11 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 119.32 0.964 . . . . 0.0 112.491 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.67 -7.15 80.74 Favored Glycine 0 CA--C 1.542 1.728 0 C-N-CA 125.529 1.538 . . . . 0.0 115.827 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.18 151.34 66.24 Favored Pre-proline 0 CA--C 1.547 0.842 0 CA-C-N 119.686 1.743 . . . . 0.0 111.62 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.35 147.83 93.29 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.249 2.633 . . . . 0.0 112.376 172.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.17 -50.67 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -108.1 169.32 8.7 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.597 1.159 . . . . 0.0 113.253 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -56.61 -37.62 70.93 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.099 -1.0 . . . . 0.0 111.761 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.3 m -67.38 -41.22 85.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.678 0.791 . . . . 0.0 111.968 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -61.2 -41.85 97.56 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.364 0.984 . . . . 0.0 111.5 173.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.37 -44.45 94.72 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.033 0.933 . . . . 0.0 112.445 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -56.47 -44.99 81.11 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.068 0.947 . . . . 0.0 111.511 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -73.49 -36.03 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.731 0.812 . . . . 0.0 110.779 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -50.77 72.2 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.63 0.65 . . . . 0.0 111.877 171.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.8 mt -57.48 -46.31 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.071 0.549 . . . . 0.0 110.134 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -64.23 -50.3 68.54 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -63.87 -43.21 96.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.437 0.695 . . . . 0.0 111.999 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.29 -44.79 95.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.837 0.455 . . . . 0.0 111.624 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 50.5 t90 -60.17 -44.33 95.12 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.094 -0.955 . . . . 0.0 112.097 172.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.4 -42.93 92.92 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 120.638 1.563 . . . . 0.0 112.343 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.42 -50.22 64.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.224 0.61 . . . . 0.0 111.736 174.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -63.68 -32.76 74.35 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.069 -1.02 . . . . 0.0 112.326 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -74.74 -32.02 61.98 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.569 1.947 . . . . 0.0 112.19 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.2 mtt85 -63.96 -38.34 90.71 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 118.787 0.721 . . . . 0.0 112.361 164.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.7 m -74.01 -36.52 64.47 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -140.64 98.57 7.1 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 126.573 1.949 . . . . 0.0 110.269 -168.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -72.71 -9.81 24.31 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 123.077 2.518 . . . . 0.0 115.302 -164.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.5 p90 -78.3 -2.58 38.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.541 1.536 . . . . 0.0 114.809 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.3 146.79 18.35 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.749 1.219 . . . . 0.0 113.873 -170.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.25 143.22 50.67 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.508 1.523 . . . . 0.0 111.364 170.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -111.31 126.41 54.88 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.109 1.364 . . . . 0.0 110.977 -167.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -129.27 97.68 4.66 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.299 1.04 . . . . 0.0 111.13 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -148.69 40.56 0.91 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.4 p -58.5 163.83 2.94 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.48 -0.763 . . . . 0.0 110.655 157.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.4 -34.74 69.2 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.652 -1.28 . . . . 0.0 111.766 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -66.04 -45.12 82.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.718 0.807 . . . . 0.0 111.161 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.72 94.89 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.151 0.887 . . . . 0.0 112.329 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.96 -49.67 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.017 0.927 . . . . 0.0 110.378 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -69.08 -30.82 69.22 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.931 1.242 . . . . 0.0 113.804 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -70.74 -44.12 67.46 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.23 0.923 . . . . 0.0 112.532 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -75.68 -38.09 59.01 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.328 1.051 . . . . 0.0 112.431 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -129.88 88.63 48.44 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 126.127 1.771 . . . . 0.0 110.455 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -69.84 -17.88 36.97 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.391 2.061 . . . . 0.0 113.588 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -68.72 -12.06 60.99 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -178.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.49 -10.64 59.7 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.069 0.85 . . . . 0.0 112.681 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.795 1.638 . . . . 0.0 112.045 170.042 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.83 141.45 28.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.673 1.189 . . . . 0.0 111.349 171.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 mt -122.03 153.96 37.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.101 1.361 . . . . 0.0 110.723 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -69.55 136.9 51.93 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.959 -0.463 . . . . 0.0 110.18 167.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.51 -23.44 19.1 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -174.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -151.79 168.7 24.25 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.434 1.094 . . . . 0.0 112.56 -167.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.14 -141.88 29.73 Favored Glycine 0 CA--C 1.542 1.74 0 C-N-CA 124.629 1.109 . . . . 0.0 114.07 172.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.84 -31.26 77.95 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.51 2.807 . . . . 0.0 113.885 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -116.43 15.78 15.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.714 1.206 . . . . 0.0 113.917 -165.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.4 122.27 7.62 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.344 0.975 . . . . 0.0 112.451 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.26 -6.06 82.72 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.424 1.487 . . . . 0.0 115.846 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.1 mt -82.88 151.06 63.37 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 119.659 1.729 . . . . 0.0 111.733 174.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -63.64 149.39 91.02 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.538 2.825 . . . . 0.0 112.511 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.6 t -85.69 -48.05 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -109.28 170.07 8.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.837 1.255 . . . . 0.0 113.341 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -55.84 -40.09 72.34 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.164 -0.96 . . . . 0.0 111.499 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -70.07 -36.46 74.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.333 0.653 . . . . 0.0 112.743 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -61.14 -43.84 98.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.607 1.094 . . . . 0.0 111.172 170.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.16 94.14 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.093 0.957 . . . . 0.0 112.446 176.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -58.93 -44.61 91.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.341 1.056 . . . . 0.0 111.712 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.8 t -73.51 -33.76 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.642 -0.661 . . . . 0.0 110.847 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -50.94 72.13 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.936 0.789 . . . . 0.0 111.809 169.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.94 -46.97 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.029 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -62.12 -51.46 67.82 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -62.52 -43.61 98.4 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.317 0.647 . . . . 0.0 112.489 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.57 -44.69 93.37 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 122.075 -0.391 . . . . 0.0 111.793 175.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -59.26 -46.98 87.07 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.052 0.941 . . . . 0.0 111.986 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -61.48 -45.94 92.11 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.926 1.239 . . . . 0.0 111.869 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -49.47 77.33 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.193 0.906 . . . . 0.0 112.312 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -64.6 -30.47 71.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.099 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.51 -39.24 77.69 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.246 1.384 . . . . 0.0 111.939 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.2 mmm-85 -63.15 -31.99 73.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.779 0.832 . . . . 0.0 111.241 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.0 m -77.0 -40.13 47.82 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 168.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -141.93 98.01 6.35 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 126.739 2.016 . . . . 0.0 110.777 -168.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.11 -9.43 25.54 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.493 2.795 . . . . 0.0 116.518 -158.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -81.87 -1.96 49.46 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.754 1.622 . . . . 0.0 115.063 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.94 123.49 16.71 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.362 1.065 . . . . 0.0 113.525 -166.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -86.37 141.22 29.35 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.348 1.059 . . . . 0.0 112.489 175.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -107.02 126.22 52.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.009 1.324 . . . . 0.0 111.727 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -136.73 95.23 3.1 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.747 1.619 . . . . 0.0 110.305 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -148.63 44.5 1.02 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.5 p -62.98 166.43 5.77 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.313 -0.867 . . . . 0.0 110.899 162.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.88 -34.31 69.65 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.867 -1.146 . . . . 0.0 111.802 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -62.24 -52.01 65.44 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.704 0.802 . . . . 0.0 111.302 171.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.51 87.4 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.862 0.755 . . . . 0.0 112.29 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.58 -50.87 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.316 1.046 . . . . 0.0 110.69 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -68.4 -28.57 67.21 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.225 1.375 . . . . 0.0 113.719 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -76.47 -39.88 51.94 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.017 0.927 . . . . 0.0 113.116 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -79.64 -36.67 37.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.51 1.124 . . . . 0.0 112.575 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -127.14 84.95 62.16 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.499 1.92 . . . . 0.0 110.314 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.55 -18.81 48.89 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.341 2.027 . . . . 0.0 113.686 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -68.34 -12.23 60.76 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.49 -11.29 60.71 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.212 0.914 . . . . 0.0 112.357 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.89 1.676 . . . . 0.0 111.757 166.435 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 111.31 0.115 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.66 144.2 27.25 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.216 1.006 . . . . 0.0 111.398 170.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 mt -122.23 154.53 37.4 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.012 1.325 . . . . 0.0 111.369 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -70.39 137.51 50.55 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.728 0.411 . . . . 0.0 110.078 165.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.74 -24.52 17.79 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -175.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -145.79 169.48 18.45 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.175 1.39 . . . . 0.0 112.853 -169.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.99 -145.36 34.94 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 124.24 0.924 . . . . 0.0 114.21 171.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.08 -30.9 83.27 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.552 2.834 . . . . 0.0 113.963 -172.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -114.58 15.43 17.73 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.79 1.236 . . . . 0.0 113.884 -165.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.33 122.49 7.9 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.35 0.977 . . . . 0.0 112.225 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.78 -5.38 83.94 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.334 1.445 . . . . 0.0 115.88 -176.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.95 150.86 62.72 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 119.561 1.68 . . . . 0.0 111.622 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.29 146.41 93.7 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.287 2.658 . . . . 0.0 112.05 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.8 t -80.55 -50.06 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.847 -0.533 . . . . 0.0 112.345 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.7 p -109.13 170.35 8.11 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.538 1.135 . . . . 0.0 113.324 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -59.75 -34.22 72.68 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.103 -0.998 . . . . 0.0 111.975 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.8 t -66.69 -42.82 85.88 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.512 0.725 . . . . 0.0 111.428 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.03 -42.78 99.12 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 120.903 -1.123 . . . . 0.0 111.681 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.72 97.11 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.733 0.813 . . . . 0.0 112.591 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -57.56 -45.64 84.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.001 1.321 . . . . 0.0 111.959 171.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.15 -34.64 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.765 0.826 . . . . 0.0 110.842 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.51 -49.75 74.13 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.904 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.9 mt -55.51 -47.73 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 118.8 0.727 . . . . 0.0 109.954 176.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -64.58 -53.69 43.8 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -63.44 -41.9 98.66 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.812 0.733 . . . . 0.0 112.337 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.4 -45.81 85.99 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.209 0.604 . . . . 0.0 111.469 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -57.15 -47.18 81.79 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.304 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.39 -43.01 99.84 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 120.563 1.528 . . . . 0.0 112.266 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.83 -48.91 78.44 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.135 -0.978 . . . . 0.0 111.494 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -64.01 -28.27 69.69 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.718 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -80.21 -32.75 38.49 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.691 1.996 . . . . 0.0 112.469 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -64.51 -35.84 82.25 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.993 0.917 . . . . 0.0 111.147 165.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t -73.6 -42.54 61.4 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 172.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -136.66 102.54 9.46 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.669 1.988 . . . . 0.0 110.685 -171.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.9 -10.48 28.56 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.208 2.605 . . . . 0.0 115.68 -163.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 p90 -84.12 -3.34 58.04 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.888 1.675 . . . . 0.0 115.076 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 124.96 22.01 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.9 0.88 . . . . 0.0 113.218 -167.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -85.44 142.34 29.32 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.084 1.354 . . . . 0.0 112.575 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -125.48 125.55 43.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.291 1.436 . . . . 0.0 110.943 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -140.57 133.8 29.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.558 1.543 . . . . 0.0 110.496 172.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -162.35 72.99 0.37 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.655 1.182 . . . . 0.0 112.13 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.4 p -73.87 170.48 15.27 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.357 0.663 . . . . 0.0 110.856 157.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -59.2 -38.16 79.21 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.867 -1.146 . . . . 0.0 111.561 169.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -62.28 -42.77 99.63 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.964 0.906 . . . . 0.0 111.569 174.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.53 90.69 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.487 0.585 . . . . 0.0 112.132 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.89 -45.68 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.173 0.897 . . . . 0.0 110.474 173.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.7 -30.95 70.59 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.694 1.134 . . . . 0.0 114.008 175.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -76.28 -38.0 56.76 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.0 -1.063 . . . . 0.0 113.083 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -79.8 -32.69 40.8 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.907 1.283 . . . . 0.0 112.487 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -135.85 95.66 13.72 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 126.338 1.855 . . . . 0.0 110.357 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.3 -14.43 25.49 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.601 2.201 . . . . 0.0 114.626 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -76.94 -11.55 59.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.36 -25.83 61.68 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.459 1.027 . . . . 0.0 112.848 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.333 0 C-N-CA 124.558 1.143 . . . . 0.0 112.5 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.555 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.39 143.62 26.24 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.83 1.252 . . . . 0.0 111.002 163.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mp -127.41 152.62 47.29 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.791 1.236 . . . . 0.0 111.07 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -71.52 133.26 45.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.917 0.487 . . . . 0.0 110.171 169.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.64 -20.67 19.37 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -150.37 168.17 24.91 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.791 1.236 . . . . 0.0 112.374 -168.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.53 -144.62 33.13 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 124.554 1.073 . . . . 0.0 114.062 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.88 -30.82 77.62 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.5 2.8 . . . . 0.0 114.059 -171.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -115.53 15.66 16.64 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.818 1.247 . . . . 0.0 113.879 -165.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.72 122.17 7.73 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.049 0.84 . . . . 0.0 112.195 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.82 2.52 84.19 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.929 1.252 . . . . 0.0 115.888 -176.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 mt -92.39 153.31 42.79 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 119.475 1.637 . . . . 0.0 112.004 172.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -60.66 150.82 80.26 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.181 2.587 . . . . 0.0 111.853 167.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.45 -48.92 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 118.628 0.649 . . . . 0.0 112.274 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -111.32 169.54 8.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.824 1.25 . . . . 0.0 113.779 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -55.0 -41.0 70.73 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.914 0.886 . . . . 0.0 111.612 169.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.1 m -66.23 -40.94 90.62 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.755 0.822 . . . . 0.0 111.99 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -61.08 -44.62 97.09 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.151 0.887 . . . . 0.0 111.46 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.79 98.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.653 0.781 . . . . 0.0 112.071 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.4 ttm-85 -61.94 -42.74 99.46 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.188 0.995 . . . . 0.0 112.056 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.3 t -66.28 -42.98 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.252 1.021 . . . . 0.0 110.41 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.78 -46.59 84.52 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 118.87 -0.586 . . . . 0.0 111.7 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.8 mt -56.69 -48.13 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 118.369 0.531 . . . . 0.0 110.153 173.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.59 -53.04 57.95 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.23 -42.34 98.45 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.519 -0.738 . . . . 0.0 112.617 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.57 -42.43 82.6 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.922 -0.486 . . . . 0.0 111.858 178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -58.71 -47.99 82.66 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.56 0.744 . . . . 0.0 112.016 170.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -39.76 92.51 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.7 1.2 . . . . 0.0 112.43 -178.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -71.25 -43.94 66.25 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.269 -0.895 . . . . 0.0 112.393 175.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -61.19 -31.16 70.92 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.796 171.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -71.63 -36.49 70.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.143 1.377 . . . . 0.0 112.369 175.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 45.0 mtm105 -62.33 -33.69 75.18 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.521 0.6 . . . . 0.0 111.899 168.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 m -76.91 -39.37 51.1 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -144.04 100.36 4.97 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 127.013 2.125 . . . . 0.0 110.386 -167.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.52 -10.61 27.09 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.385 2.723 . . . . 0.0 116.278 -159.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -82.88 -0.25 47.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.914 1.686 . . . . 0.0 115.194 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 126.24 26.75 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -165.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -87.05 143.03 27.5 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.329 1.451 . . . . 0.0 112.339 175.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -117.37 129.51 55.91 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.002 1.321 . . . . 0.0 111.395 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -136.92 104.48 5.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.403 1.481 . . . . 0.0 110.591 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -149.03 34.84 0.74 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.6 m -58.81 152.37 19.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.239 0.616 . . . . 0.0 109.674 157.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.35 -33.28 74.4 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.405 -1.435 . . . . 0.0 112.796 -173.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.18 -41.7 93.46 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.367 -0.833 . . . . 0.0 111.906 170.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.76 84.82 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.327 0.651 . . . . 0.0 111.915 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.62 -47.62 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.658 0.783 . . . . 0.0 110.271 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -67.04 -30.63 70.76 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -77.18 -37.62 53.28 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.125 -0.985 . . . . 0.0 113.345 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -77.44 -34.97 54.45 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.348 1.059 . . . . 0.0 112.517 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -135.9 89.0 21.72 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 126.462 1.905 . . . . 0.0 110.297 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.8 -17.33 37.43 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.457 2.105 . . . . 0.0 114.003 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -69.94 -11.28 60.75 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.52 -9.18 57.8 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.195 0.907 . . . . 0.0 112.86 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.605 1.562 . . . . 0.0 111.948 168.499 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.53 0 CA-C-O 120.481 0.181 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.79 141.99 30.99 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.9 0.88 . . . . 0.0 111.03 172.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.7 mt -122.13 154.55 37.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.985 1.314 . . . . 0.0 111.023 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.69 135.27 48.19 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.948 -0.47 . . . . 0.0 109.865 164.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 -23.52 20.65 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.65 168.28 25.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.687 1.195 . . . . 0.0 112.445 -168.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.34 -142.21 29.98 Favored Glycine 0 CA--C 1.543 1.796 0 C-N-CA 124.639 1.114 . . . . 0.0 114.091 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.08 -31.9 83.54 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.515 2.81 . . . . 0.0 113.994 -171.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.73 16.22 16.38 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.717 1.207 . . . . 0.0 113.769 -166.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.77 121.97 7.45 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.202 0.91 . . . . 0.0 112.445 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.89 -5.41 83.98 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 125.313 1.435 . . . . 0.0 115.811 -176.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.1 mt -82.17 149.66 62.81 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 119.611 1.706 . . . . 0.0 111.7 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -63.93 147.22 92.05 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.477 2.785 . . . . 0.0 112.273 173.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.9 t -82.35 -48.75 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 112.476 0.546 . . . . 0.0 112.476 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -109.32 169.21 8.84 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.636 1.174 . . . . 0.0 113.677 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -55.21 -40.47 70.82 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.031 0.932 . . . . 0.0 111.822 169.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.2 m -67.16 -40.14 86.61 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 118.517 -0.754 . . . . 0.0 112.427 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -60.45 -43.19 97.11 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.108 1.322 . . . . 0.0 111.279 173.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.71 93.62 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.765 0.826 . . . . 0.0 112.566 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.8 ttp-105 -59.99 -43.57 95.07 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.992 0.917 . . . . 0.0 111.961 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.6 t -71.29 -35.04 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.11 0.964 . . . . 0.0 110.681 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.7 -51.91 66.48 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.757 0.708 . . . . 0.0 111.708 170.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.4 mt -55.61 -46.84 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.247 0.476 . . . . 0.0 109.966 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.98 -55.07 21.24 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -63.56 -41.64 98.4 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.151 0.887 . . . . 0.0 112.425 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -62.23 -49.12 77.0 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.817 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -55.04 -45.04 75.19 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 117.953 -1.022 . . . . 0.0 111.808 172.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.38 -44.05 97.82 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 120.486 1.494 . . . . 0.0 111.559 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.27 -47.99 80.07 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.468 -0.77 . . . . 0.0 112.175 172.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -63.58 -29.63 70.86 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.587 0.755 . . . . 0.0 111.948 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -76.86 -33.11 57.88 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.187 2.195 . . . . 0.0 111.441 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.1 ttt-85 -64.26 -39.94 94.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.438 1.095 . . . . 0.0 112.33 168.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.6 p -83.08 -33.14 26.46 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -134.45 100.77 12.39 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.569 1.948 . . . . 0.0 110.576 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.89 -10.27 27.32 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 123.322 2.681 . . . . 0.0 115.794 -161.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -82.77 -4.07 57.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.548 1.539 . . . . 0.0 114.862 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 119.38 8.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.004 0.82 . . . . 0.0 112.887 -167.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -86.59 138.8 31.4 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.127 0.971 . . . . 0.0 112.278 175.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.27 125.5 53.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.6 1.56 . . . . 0.0 110.613 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -140.44 124.39 17.39 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.247 1.419 . . . . 0.0 108.726 169.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -154.85 55.66 0.67 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.4 p -59.27 164.5 3.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.455 0.702 . . . . 0.0 112.298 162.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.98 -36.3 70.18 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.109 -0.994 . . . . 0.0 111.779 168.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -61.45 -45.94 92.16 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.296 0.638 . . . . 0.0 110.919 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.83 95.58 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.811 0.732 . . . . 0.0 112.175 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.0 mt -62.15 -49.0 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.218 1.007 . . . . 0.0 110.576 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -66.68 -34.91 78.92 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.778 1.172 . . . . 0.0 113.581 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -72.21 -37.73 69.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.918 0.887 . . . . 0.0 112.732 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -79.24 -38.12 36.39 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.097 0.959 . . . . 0.0 112.462 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -128.84 91.66 42.35 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 126.281 1.832 . . . . 0.0 110.529 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -69.77 -18.55 36.88 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 122.537 2.158 . . . . 0.0 113.967 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -71.04 -10.82 60.41 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.91 -10.91 60.13 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.129 0.877 . . . . 0.0 112.708 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.343 1.457 . . . . 0.0 112.041 170.305 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 120.356 0.122 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.87 140.26 29.83 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.886 0.874 . . . . 0.0 110.872 168.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.9 mt -121.99 152.38 39.79 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.814 1.246 . . . . 0.0 110.924 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -68.58 138.35 55.02 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.853 -0.53 . . . . 0.0 110.307 168.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.54 -24.68 17.15 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -146.03 169.44 18.65 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.01 1.324 . . . . 0.0 112.845 -168.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.39 -144.09 33.85 Favored Glycine 0 CA--C 1.542 1.774 0 C-N-CA 124.178 0.894 . . . . 0.0 114.165 171.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.74 -30.1 77.87 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.515 2.81 . . . . 0.0 113.901 -172.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.46 14.62 16.7 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.655 1.182 . . . . 0.0 113.9 -164.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.56 122.69 8.43 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 119.518 1.053 . . . . 0.0 112.4 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.33 -6.71 81.24 Favored Glycine 0 CA--C 1.541 1.656 0 C-N-CA 125.405 1.478 . . . . 0.0 115.858 -175.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.4 mt -81.6 151.17 67.97 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 119.61 1.705 . . . . 0.0 111.566 173.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -62.92 145.97 94.69 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.269 2.646 . . . . 0.0 112.345 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.5 t -81.65 -52.37 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 119.175 -0.44 . . . . 0.0 112.131 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 p -104.13 169.73 8.32 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.474 1.109 . . . . 0.0 113.305 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.23 -35.63 80.98 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.1 -1.0 . . . . 0.0 111.436 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -66.45 -41.3 89.32 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.456 169.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -59.52 -40.95 88.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 120.17 1.35 . . . . 0.0 111.507 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.89 88.56 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.962 0.905 . . . . 0.0 112.579 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.0 ttp-105 -60.02 -41.29 91.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.986 0.914 . . . . 0.0 112.147 173.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.01 -37.31 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.446 1.098 . . . . 0.0 110.365 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.77 -50.3 74.36 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.605 0.639 . . . . 0.0 111.542 171.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -55.98 -49.28 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.131 0.572 . . . . 0.0 110.308 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.87 -51.66 63.6 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -60.82 -44.71 96.54 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.464 0.706 . . . . 0.0 112.516 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.82 -45.63 93.02 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.859 0.464 . . . . 0.0 111.899 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 48.9 t90 -58.96 -48.01 83.05 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.443 0.697 . . . . 0.0 111.823 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -70.34 -34.1 72.26 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.978 1.263 . . . . 0.0 112.859 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.42 -49.72 65.83 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.596 -1.315 . . . . 0.0 111.197 171.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -66.85 -23.25 66.0 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.909 -1.043 . . . . 0.0 112.347 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -70.76 -38.8 73.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.236 1.38 . . . . 0.0 112.011 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -60.08 -37.16 79.09 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 118.751 0.705 . . . . 0.0 111.771 167.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.4 m -71.51 -41.32 69.37 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -145.01 104.06 4.44 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 127.055 2.142 . . . . 0.0 110.36 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.78 -9.86 25.52 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 123.235 2.623 . . . . 0.0 116.109 -160.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.1 p90 -85.99 4.63 36.95 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.123 1.769 . . . . 0.0 115.193 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 126.13 26.31 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.069 0.948 . . . . 0.0 113.441 -165.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.71 147.8 31.79 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.793 1.637 . . . . 0.0 112.227 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -125.01 126.93 46.2 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.558 1.143 . . . . 0.0 111.814 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -137.23 109.83 7.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.454 1.502 . . . . 0.0 110.222 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -148.16 29.55 0.88 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.8 m -66.09 160.48 23.82 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.605 -0.684 . . . . 0.0 110.5 166.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -53.17 -41.08 64.84 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.062 -1.024 . . . . 0.0 113.256 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -33.93 74.92 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.335 -0.853 . . . . 0.0 112.514 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.64 81.61 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.612 0.642 . . . . 0.0 111.6 172.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.22 -49.0 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.819 0.848 . . . . 0.0 110.145 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -66.62 -34.74 78.54 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -73.4 -36.48 66.02 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -44.13 31.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.187 0.995 . . . . 0.0 111.028 174.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -125.81 89.61 52.07 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 126.063 1.745 . . . . 0.0 110.841 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.77 -16.81 33.29 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.476 2.117 . . . . 0.0 113.904 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -68.92 -10.76 58.92 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.8 -3.47 28.83 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.123 0.969 . . . . 0.0 112.976 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.944 1.698 . . . . 0.0 111.741 167.488 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 120.411 0.148 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.68 144.01 28.06 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.153 0.981 . . . . 0.0 111.659 175.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.2 mt -121.65 154.57 36.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.285 1.434 . . . . 0.0 110.632 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -69.92 135.62 49.69 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.804 -0.56 . . . . 0.0 109.796 164.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.7 -23.78 20.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -174.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.73 168.5 24.85 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.566 1.146 . . . . 0.0 112.53 -168.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.26 -141.72 29.36 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.372 0.986 . . . . 0.0 114.17 173.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -62.89 -31.9 77.28 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.366 2.71 . . . . 0.0 113.742 -171.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -115.59 16.37 16.52 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -166.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.36 121.68 6.67 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.102 0.865 . . . . 0.0 112.463 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.86 -4.07 86.33 Favored Glycine 0 CA--C 1.542 1.738 0 C-N-CA 125.121 1.343 . . . . 0.0 116.083 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.4 mt -84.59 150.04 55.75 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 119.541 1.671 . . . . 0.0 111.572 173.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -62.78 148.39 93.47 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.457 2.771 . . . . 0.0 112.552 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.1 t -84.75 -48.7 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.403 -177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -109.37 169.17 8.87 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.846 1.259 . . . . 0.0 112.847 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -61.83 -35.96 79.77 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.879 -1.138 . . . . 0.0 111.508 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -65.07 -39.3 93.04 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.508 0.723 . . . . 0.0 111.899 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.14 -48.08 83.24 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.532 1.06 . . . . 0.0 110.968 172.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.43 -43.29 93.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.442 0.697 . . . . 0.0 112.66 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -60.83 -44.11 97.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.843 1.257 . . . . 0.0 112.279 174.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.0 t -71.58 -35.51 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.734 0.814 . . . . 0.0 110.907 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.68 -48.49 81.54 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.679 0.672 . . . . 0.0 111.355 170.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.5 mt -56.67 -48.9 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.438 0.563 . . . . 0.0 110.305 175.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -62.57 -51.56 66.87 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -62.37 -45.13 94.55 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.274 0.629 . . . . 0.0 111.976 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.76 -44.94 94.89 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.878 -0.514 . . . . 0.0 111.831 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -58.26 -46.81 85.3 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.059 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -64.37 -44.15 92.27 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.801 1.182 . . . . 0.0 111.946 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -64.15 -47.51 79.61 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.299 -0.876 . . . . 0.0 111.934 174.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -65.99 -26.11 67.39 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 117.535 -1.221 . . . . 0.0 112.227 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.41 -36.2 71.26 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.825 1.648 . . . . 0.0 111.886 172.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -62.34 -35.41 79.02 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.783 0.719 . . . . 0.0 111.712 168.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.0 m -73.88 -39.67 63.74 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -143.56 96.74 5.63 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 127.008 2.123 . . . . 0.0 110.114 -167.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.15 -10.07 27.42 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.444 2.762 . . . . 0.0 116.122 -160.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 8.5 p90 -81.8 -0.64 44.21 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.821 1.648 . . . . 0.0 115.017 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.07 123.99 18.45 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.058 0.943 . . . . 0.0 113.509 -167.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -87.01 144.23 26.99 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.567 1.547 . . . . 0.0 112.128 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -119.39 125.25 48.54 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.471 1.109 . . . . 0.0 111.824 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.86 120.87 15.59 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.635 1.574 . . . . 0.0 109.896 168.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -149.17 40.53 0.87 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.5 t -66.51 158.21 30.2 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.413 0.685 . . . . 0.0 111.282 168.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -53.96 -38.83 65.41 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.69 1.196 . . . . 0.0 112.111 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.87 -41.61 91.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.721 0.808 . . . . 0.0 112.178 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.06 87.98 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.492 0.717 . . . . 0.0 111.777 175.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.2 -46.5 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.504 1.122 . . . . 0.0 110.284 173.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -64.43 -39.41 93.78 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.912 1.233 . . . . 0.0 113.836 174.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.42 -37.9 80.72 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.668 0.787 . . . . 0.0 112.805 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 -80.55 -39.04 28.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.757 0.823 . . . . 0.0 112.548 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -128.74 88.09 52.98 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.242 1.817 . . . . 0.0 110.727 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.72 -17.94 42.28 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 122.473 2.115 . . . . 0.0 113.61 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -68.62 -12.45 61.35 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.64 -10.32 59.06 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.088 0.858 . . . . 0.0 112.609 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.811 1.645 . . . . 0.0 112.252 171.164 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.14 146.21 24.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.731 1.212 . . . . 0.0 111.42 169.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.0 mt -121.61 154.65 36.48 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.019 1.328 . . . . 0.0 111.447 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -71.02 136.35 48.31 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 122.702 0.401 . . . . 0.0 110.008 164.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.84 -25.4 18.12 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -176.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -145.9 170.06 17.35 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.192 1.397 . . . . 0.0 112.585 -169.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.36 -144.96 33.83 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 124.198 0.904 . . . . 0.0 114.14 171.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -62.46 -30.6 80.26 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.548 2.832 . . . . 0.0 113.944 -172.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.35 15.56 16.84 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.735 1.214 . . . . 0.0 113.882 -165.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.25 122.4 7.69 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 119.246 0.93 . . . . 0.0 112.325 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.17 -6.32 81.87 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.331 1.443 . . . . 0.0 115.895 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.8 mt -81.98 151.37 66.98 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 119.643 1.722 . . . . 0.0 111.559 172.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -62.16 147.73 94.51 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.276 2.651 . . . . 0.0 112.153 171.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.41 -49.12 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -111.34 167.58 10.19 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.415 1.086 . . . . 0.0 113.683 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -49.93 -43.12 49.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.659 1.183 . . . . 0.0 111.844 166.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.9 m -67.34 -40.65 85.87 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.674 0.79 . . . . 0.0 111.986 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.9 -45.1 95.94 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.997 0.817 . . . . 0.0 111.343 173.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.01 99.58 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.945 0.898 . . . . 0.0 112.292 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -61.64 -42.43 98.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.108 0.963 . . . . 0.0 112.306 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -72.39 -36.24 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.071 0.948 . . . . 0.0 111.097 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.91 -50.76 72.12 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.538 0.608 . . . . 0.0 111.252 170.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -55.27 -48.14 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 122.942 0.497 . . . . 0.0 110.207 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.32 -55.85 21.25 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -70.66 -33.36 70.86 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -175.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.64 -48.26 82.36 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.973 -0.455 . . . . 0.0 110.335 167.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -59.05 -39.11 81.04 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.943 -1.027 . . . . 0.0 113.256 173.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.76 -48.58 80.72 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.764 1.62 . . . . 0.0 111.531 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -64.62 -45.42 86.97 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.213 -0.929 . . . . 0.0 111.925 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -61.22 -37.5 83.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.084 0.954 . . . . 0.0 111.085 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.32 -39.92 85.9 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.593 1.557 . . . . 0.0 112.015 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.8 -33.38 74.01 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.582 0.628 . . . . 0.0 112.073 172.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.4 m -78.36 -37.39 44.41 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 170.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -142.58 94.83 6.6 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 127.0 2.12 . . . . 0.0 110.149 -167.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.05 -9.02 24.83 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.365 2.71 . . . . 0.0 116.175 -160.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -81.69 -2.48 50.62 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.731 1.612 . . . . 0.0 114.987 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 124.58 20.61 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.504 1.121 . . . . 0.0 113.73 -165.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -96.12 149.03 22.07 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.054 1.341 . . . . 0.0 112.556 173.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -122.55 120.86 35.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.073 1.349 . . . . 0.0 111.576 -165.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.3 99.38 6.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.453 1.501 . . . . 0.0 109.811 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -139.37 33.03 2.08 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.8 t -63.23 159.82 16.96 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.92 -0.488 . . . . 0.0 111.014 163.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -53.74 -42.72 68.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.54 1.136 . . . . 0.0 112.411 -175.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -63.86 -38.46 91.17 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.629 0.772 . . . . 0.0 111.453 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.54 -38.55 84.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.362 0.983 . . . . 0.0 112.184 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 60.0 mt -59.76 -52.47 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.976 0.807 . . . . 0.0 109.971 172.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -70.7 -28.6 64.88 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -78.17 -37.9 44.78 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.18 0.992 . . . . 0.0 112.875 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -75.67 -37.1 59.85 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.876 0.87 . . . . 0.0 112.062 174.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -131.67 92.04 32.1 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.719 1.608 . . . . 0.0 110.911 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.45 -18.19 29.79 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.512 2.142 . . . . 0.0 113.725 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -69.81 -11.5 60.91 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.15 -11.45 60.74 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.023 0.829 . . . . 0.0 112.687 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.522 1.529 . . . . 0.0 111.943 171.841 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 120.281 0.086 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.83 137.61 35.24 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.373 0.669 . . . . 0.0 110.702 171.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 mt -120.07 152.84 36.96 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.953 1.301 . . . . 0.0 110.795 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -69.93 133.84 47.74 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.886 -0.509 . . . . 0.0 110.002 167.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.84 -24.08 21.51 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -151.99 169.24 22.83 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.618 1.167 . . . . 0.0 112.392 -168.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.0 -142.46 29.61 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.586 1.088 . . . . 0.0 114.165 172.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -62.53 -31.49 80.18 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.539 2.826 . . . . 0.0 114.019 -171.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.4 16.3 15.69 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.811 1.245 . . . . 0.0 113.784 -165.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.04 122.12 7.09 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.248 0.931 . . . . 0.0 112.492 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.01 -7.58 79.9 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.525 1.536 . . . . 0.0 115.808 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.1 mt -81.53 150.39 66.73 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.683 1.742 . . . . 0.0 111.688 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -62.33 147.61 94.66 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.306 2.67 . . . . 0.0 112.43 170.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.22 -51.66 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.3 p -107.61 168.49 9.21 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.601 1.161 . . . . 0.0 113.284 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -55.98 -37.75 69.5 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.043 -1.036 . . . . 0.0 111.744 169.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.0 m -67.41 -41.48 84.81 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.869 0.868 . . . . 0.0 111.805 175.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -60.79 -43.78 97.68 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.347 -0.846 . . . . 0.0 111.426 172.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.21 -45.87 91.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.116 0.966 . . . . 0.0 112.249 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -59.65 -42.48 92.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.053 0.941 . . . . 0.0 112.002 173.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.1 t -71.97 -38.6 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.201 -0.937 . . . . 0.0 110.711 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -51.2 70.95 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.541 0.736 . . . . 0.0 111.777 172.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.6 mt -59.82 -43.45 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.168 178.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -62.35 -52.83 62.07 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -61.28 -43.02 99.57 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.917 0.781 . . . . 0.0 112.699 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.07 -43.36 99.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.691 0.797 . . . . 0.0 111.819 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -64.24 -41.6 96.91 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.546 172.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.43 -45.41 93.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 120.671 1.578 . . . . 0.0 111.7 176.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.05 -47.75 83.3 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.268 -0.895 . . . . 0.0 111.686 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -68.36 -25.22 64.97 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.37 -0.831 . . . . 0.0 112.704 177.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -72.13 -39.51 68.76 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.052 1.296 . . . . 0.0 111.185 171.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -63.46 -33.49 75.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.223 173.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.3 p -84.23 -35.33 23.52 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 170.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -139.9 99.7 7.45 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 126.814 2.046 . . . . 0.0 111.237 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.39 -8.45 22.67 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 123.55 2.833 . . . . 0.0 116.434 -160.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -83.82 0.57 46.96 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.884 1.674 . . . . 0.0 115.139 -177.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 126.79 28.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.413 1.085 . . . . 0.0 113.848 -165.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.73 149.62 29.63 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.544 1.138 . . . . 0.0 112.843 171.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -119.14 100.02 7.08 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.203 1.001 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -116.52 76.33 1.02 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.862 1.265 . . . . 0.0 110.943 -172.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -132.51 36.1 3.59 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.6 t -60.0 157.8 12.12 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.622 -0.674 . . . . 0.0 109.902 161.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -57.2 -35.43 69.61 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.46 -1.4 . . . . 0.0 113.009 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.35 -41.49 97.14 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.942 0.897 . . . . 0.0 112.189 172.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.75 75.42 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.788 0.835 . . . . 0.0 112.471 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.66 -48.11 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 118.871 0.759 . . . . 0.0 109.832 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -71.21 -32.71 69.14 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -72.48 -36.85 68.54 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.554 1.07 . . . . 0.0 112.819 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.9 ttm105 -78.43 -37.02 44.75 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.527 1.131 . . . . 0.0 112.393 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -134.91 86.76 31.77 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.778 2.031 . . . . 0.0 110.84 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -69.1 -17.76 40.43 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.507 2.138 . . . . 0.0 113.526 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -66.35 -13.67 60.94 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.52 -11.47 60.86 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.055 0.843 . . . . 0.0 113.028 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.117 1.767 . . . . 0.0 112.619 170.342 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 120.488 0.185 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.44 138.34 32.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.92 0.888 . . . . 0.0 111.016 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.8 mt -119.64 151.8 38.12 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.99 1.316 . . . . 0.0 110.644 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -68.82 134.95 50.39 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.93 -0.481 . . . . 0.0 110.157 168.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.2 -23.43 20.22 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.92 168.82 23.95 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.553 1.141 . . . . 0.0 112.387 -168.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.61 -143.17 31.04 Favored Glycine 0 CA--C 1.543 1.785 0 C-N-CA 124.511 1.053 . . . . 0.0 114.165 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.75 -30.75 78.46 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.566 2.844 . . . . 0.0 114.111 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -116.05 15.33 16.13 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.748 1.219 . . . . 0.0 113.893 -165.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.04 122.31 7.37 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.338 0.972 . . . . 0.0 112.487 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.25 -7.95 78.7 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.502 1.525 . . . . 0.0 115.838 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.4 mt -80.68 150.96 70.73 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 119.71 1.755 . . . . 0.0 111.579 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -61.39 146.56 97.06 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.197 2.598 . . . . 0.0 112.167 170.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.3 t -80.28 -51.85 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 118.997 -0.525 . . . . 0.0 112.341 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.5 p -108.15 168.62 9.16 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.324 1.05 . . . . 0.0 113.486 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -55.11 -37.31 66.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.282 1.033 . . . . 0.0 112.11 168.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -67.28 -44.04 80.29 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.716 0.806 . . . . 0.0 111.621 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.68 -42.24 92.47 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.072 -1.017 . . . . 0.0 111.719 174.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.23 94.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.265 1.026 . . . . 0.0 112.351 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -58.35 -44.31 88.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.094 0.958 . . . . 0.0 111.888 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.3 t -72.9 -35.82 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.563 0.745 . . . . 0.0 110.701 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -51.47 69.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.798 0.726 . . . . 0.0 111.836 171.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.21 -47.57 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -62.26 -54.98 32.96 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -71.25 -33.71 70.06 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.464 1.029 . . . . 0.0 113.545 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.9 -49.9 75.89 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.498 166.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -56.54 -42.4 78.42 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.379 174.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -55.4 -47.79 75.35 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 121.088 1.767 . . . . 0.0 111.094 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.77 -50.43 66.83 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.58 -0.7 . . . . 0.0 112.501 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -62.66 -32.12 73.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.171 0.988 . . . . 0.0 111.542 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -73.67 -34.98 65.16 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.977 1.711 . . . . 0.0 111.664 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -62.82 -38.91 92.63 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.82 0.848 . . . . 0.0 112.359 170.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.6 p -82.97 -33.04 26.73 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -134.85 100.85 11.86 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.426 1.89 . . . . 0.0 110.852 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.3 -10.55 27.31 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.31 2.673 . . . . 0.0 115.939 -160.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -82.68 -1.98 52.8 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.874 1.67 . . . . 0.0 114.93 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 120.29 9.97 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -164.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -82.43 135.8 35.07 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.766 1.226 . . . . 0.0 112.661 173.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -112.56 122.79 48.7 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.043 1.337 . . . . 0.0 110.994 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.56 123.9 21.96 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.93 1.292 . . . . 0.0 109.878 167.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -155.83 36.01 0.35 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.596 1.158 . . . . 0.0 113.415 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 t -57.34 155.21 9.39 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.731 -0.606 . . . . 0.0 109.931 161.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -59.86 -30.29 68.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.028 -1.045 . . . . 0.0 112.704 -171.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -63.18 -43.93 96.87 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.03 0.932 . . . . 0.0 111.585 171.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.04 84.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.399 0.68 . . . . 0.0 112.142 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.06 -53.56 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.617 0.767 . . . . 0.0 110.56 171.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -66.79 -32.09 73.15 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -74.74 -34.76 62.59 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -84.59 -32.55 23.71 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.953 0.901 . . . . 0.0 112.991 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -131.16 90.63 38.19 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 126.032 1.733 . . . . 0.0 110.248 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.53 -15.23 30.79 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.517 2.145 . . . . 0.0 114.0 -175.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -72.85 -12.36 60.95 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.94 -20.88 61.69 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.209 0.913 . . . . 0.0 113.088 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 125.831 1.652 . . . . 0.0 111.401 176.502 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 111.292 0.108 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.29 140.41 29.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.988 0.915 . . . . 0.0 111.158 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.9 mt -121.45 152.61 38.9 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.983 1.313 . . . . 0.0 111.152 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -69.38 136.31 51.5 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.013 0.525 . . . . 0.0 110.303 168.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.63 -25.75 18.15 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -146.42 170.08 17.57 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.219 1.408 . . . . 0.0 112.771 -169.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.8 -145.47 33.94 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.119 0.866 . . . . 0.0 114.21 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.16 -30.46 82.09 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.647 2.898 . . . . 0.0 113.93 -172.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -115.44 15.64 16.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.816 1.246 . . . . 0.0 113.824 -165.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.11 123.11 8.71 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.504 1.047 . . . . 0.0 112.482 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.31 -7.51 78.26 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 125.364 1.459 . . . . 0.0 115.857 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.7 mt -81.64 151.6 68.46 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 119.631 1.715 . . . . 0.0 111.811 174.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -62.33 146.66 95.74 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.308 2.672 . . . . 0.0 112.389 170.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.13 -53.89 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 119.06 -0.495 . . . . 0.0 112.228 -177.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 p -103.1 169.88 8.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.4 1.08 . . . . 0.0 113.354 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -61.05 -37.35 82.32 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.091 -1.006 . . . . 0.0 111.402 173.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 m -69.37 -36.98 77.36 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.776 171.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.73 -43.15 98.26 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.273 1.397 . . . . 0.0 111.267 171.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.85 -44.57 95.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.894 0.878 . . . . 0.0 112.422 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -57.47 -44.64 85.01 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.772 1.229 . . . . 0.0 112.014 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.39 -35.08 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.963 0.905 . . . . 0.0 110.822 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -52.19 66.58 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.738 0.699 . . . . 0.0 111.737 171.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.63 -47.21 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -60.49 -56.77 17.36 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -70.96 -33.97 70.97 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.423 1.01 . . . . 0.0 113.562 -174.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.34 -49.42 77.27 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.023 -0.423 . . . . 0.0 110.447 168.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -59.85 -40.75 89.6 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 117.411 -1.28 . . . . 0.0 112.818 173.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.05 -47.36 78.04 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.307 1.867 . . . . 0.0 111.01 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.06 -48.36 80.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.641 -0.662 . . . . 0.0 111.884 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -65.07 -33.63 76.5 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.435 -0.791 . . . . 0.0 111.839 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -76.36 -33.07 58.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.996 2.118 . . . . 0.0 112.46 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -66.4 -34.83 78.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.472 0.709 . . . . 0.0 111.847 166.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 t -74.2 -42.44 59.81 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 173.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -138.12 104.84 7.98 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.765 2.026 . . . . 0.0 110.442 -171.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.32 -11.16 28.27 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.147 2.564 . . . . 0.0 115.859 -161.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -83.44 -3.52 57.65 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.647 1.579 . . . . 0.0 114.935 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.24 123.16 16.36 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.881 0.872 . . . . 0.0 113.112 -167.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -91.68 146.43 23.78 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.507 1.123 . . . . 0.0 112.718 175.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -118.85 126.46 51.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.438 1.495 . . . . 0.0 110.72 -169.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -136.85 101.8 4.69 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.162 1.385 . . . . 0.0 110.369 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -149.14 41.64 0.91 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -174.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.8 p -63.2 169.4 3.54 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.582 -0.699 . . . . 0.0 111.176 160.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -56.3 -34.03 66.11 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.003 -1.06 . . . . 0.0 112.116 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.48 -48.51 72.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.001 0.92 . . . . 0.0 110.549 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.23 -37.97 89.32 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.11 -48.36 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.197 0.999 . . . . 0.0 110.604 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -65.14 -33.83 76.94 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 120.189 1.359 . . . . 0.0 113.252 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -72.42 -38.44 68.36 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 118.943 0.792 . . . . 0.0 113.042 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -76.95 -36.52 56.47 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.236 1.014 . . . . 0.0 112.774 175.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -136.69 92.79 14.52 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.36 1.864 . . . . 0.0 110.625 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.28 -15.22 28.44 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.488 2.125 . . . . 0.0 114.159 -175.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -71.38 -11.89 61.13 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.05 -15.64 59.53 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 124.722 1.209 . . . . 0.0 111.094 177.629 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.54 138.75 31.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.885 0.874 . . . . 0.0 110.651 167.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.3 mt -121.33 153.18 38.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.008 1.323 . . . . 0.0 110.991 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -68.47 135.41 51.62 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.876 -0.515 . . . . 0.0 110.0 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 -22.91 20.85 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -177.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -151.3 172.05 16.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.651 1.18 . . . . 0.0 113.149 -168.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.47 -144.25 34.0 Favored Glycine 0 CA--C 1.542 1.735 0 CA-C-O 119.212 -0.771 . . . . 0.0 114.111 172.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -63.11 -30.89 75.78 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.369 2.712 . . . . 0.0 113.875 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -116.16 16.74 15.91 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.775 1.23 . . . . 0.0 113.977 -165.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.71 122.64 7.57 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 119.187 0.903 . . . . 0.0 112.433 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.18 -6.85 80.5 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.435 1.493 . . . . 0.0 115.814 -176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.61 151.82 65.62 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.729 1.764 . . . . 0.0 111.696 174.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -63.01 146.57 94.79 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.22 2.614 . . . . 0.0 112.223 171.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.6 -49.74 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -176.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.7 p -110.38 170.03 8.35 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.579 1.152 . . . . 0.0 113.19 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -54.99 -39.79 69.39 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.182 -0.949 . . . . 0.0 111.527 168.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.5 m -65.48 -42.92 91.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.784 0.833 . . . . 0.0 111.58 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -61.04 -42.07 97.79 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.134 -0.979 . . . . 0.0 111.707 173.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.06 99.71 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.848 0.859 . . . . 0.0 112.468 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.8 ttt-85 -58.32 -44.54 88.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.6 1.16 . . . . 0.0 111.627 171.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.6 t -72.11 -35.48 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.884 0.874 . . . . 0.0 110.756 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.57 -50.24 72.07 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.782 0.833 . . . . 0.0 112.062 172.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.6 mt -55.52 -45.73 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 122.828 0.451 . . . . 0.0 109.842 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -61.75 -53.33 57.51 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -60.95 -44.54 97.12 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.938 0.79 . . . . 0.0 112.763 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.6 -46.02 87.7 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.527 0.731 . . . . 0.0 111.657 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.1 t90 -56.71 -51.07 70.22 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.921 -1.038 . . . . 0.0 111.301 170.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.44 -40.97 96.41 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.355 1.434 . . . . 0.0 112.01 -174.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.06 -50.7 70.93 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.238 -0.914 . . . . 0.0 111.816 172.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -66.66 -25.79 66.74 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.231 -0.918 . . . . 0.0 112.71 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -80.22 -34.16 37.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 127.084 2.154 . . . . 0.0 112.192 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -65.03 -34.39 78.33 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.836 0.854 . . . . 0.0 111.393 166.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.5 t -73.22 -50.82 20.34 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.16 110.15 21.55 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 127.096 2.159 . . . . 0.0 111.085 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -71.47 -9.44 25.17 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 123.353 2.702 . . . . 0.0 116.053 -162.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -89.05 0.41 56.71 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.89 1.676 . . . . 0.0 115.274 -174.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 124.94 24.46 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.976 0.91 . . . . 0.0 113.115 -169.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -79.17 157.22 27.93 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.223 1.009 . . . . 0.0 112.342 171.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -126.09 117.17 22.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.092 1.357 . . . . 0.0 110.617 -174.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.42 92.56 3.69 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.74 1.616 . . . . 0.0 110.558 -174.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -143.82 40.6 1.4 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.9 p -62.63 164.28 7.87 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.905 -0.497 . . . . 0.0 110.901 159.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -57.35 -37.24 72.28 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.76 -1.213 . . . . 0.0 111.793 171.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.69 -48.64 79.88 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.459 1.104 . . . . 0.0 111.662 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.03 -41.04 97.69 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.506 0.593 . . . . 0.0 111.998 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.76 -50.97 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.806 0.842 . . . . 0.0 110.496 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -68.43 -25.98 65.29 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.79 1.177 . . . . 0.0 113.734 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -77.62 -42.12 36.09 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.082 0.953 . . . . 0.0 113.355 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -89.12 -25.88 21.63 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.723 1.209 . . . . 0.0 113.188 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -129.62 85.7 57.75 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 126.877 2.071 . . . . 0.0 109.974 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.78 -17.32 42.17 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.512 2.141 . . . . 0.0 113.996 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -68.83 -12.4 61.49 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.64 -10.2 59.41 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.132 0.878 . . . . 0.0 112.875 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.571 1.548 . . . . 0.0 112.177 169.596 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 120.298 0.094 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -141.24 145.07 35.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.502 1.521 . . . . 0.0 111.819 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.63 169.67 11.21 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.46 1.505 . . . . 0.0 116.036 172.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.8 p -157.3 156.74 32.94 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.053 1.741 . . . . 0.0 111.7 174.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -151.58 148.82 28.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.007 1.323 . . . . 0.0 112.141 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -142.19 126.14 17.22 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.052 1.341 . . . . 0.0 111.401 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -148.77 64.35 1.06 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.218 1.407 . . . . 0.0 112.638 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.28 60.06 1.47 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.548 1.139 . . . . 0.0 111.161 169.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -115.88 0.96 13.26 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.688 1.595 . . . . 0.0 113.946 -167.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -142.89 158.14 43.9 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.381 1.472 . . . . 0.0 111.382 -174.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.12 133.99 2.61 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.486 1.517 . . . . 0.0 112.437 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 p -150.89 102.05 2.95 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.072 0.949 . . . . 0.0 111.771 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.35 101.56 1.63 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.205 0.907 . . . . 0.0 111.784 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.32 -178.87 7.08 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.446 1.498 . . . . 0.0 111.76 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -89.33 141.24 28.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.201 1.0 . . . . 0.0 110.179 167.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.21 133.57 46.87 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.273 1.029 . . . . 0.0 110.853 172.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.23 137.95 35.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.244 0.618 . . . . 0.0 110.571 170.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.57 152.62 37.87 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.968 1.307 . . . . 0.0 110.779 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -69.71 137.18 51.84 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.874 -0.516 . . . . 0.0 110.1 167.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.95 -23.01 18.87 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -151.56 168.74 23.98 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.414 1.086 . . . . 0.0 112.501 -168.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.82 -142.02 30.27 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 124.635 1.112 . . . . 0.0 113.993 172.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.12 -30.75 75.6 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.47 2.78 . . . . 0.0 113.98 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -116.4 15.51 15.74 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.707 1.203 . . . . 0.0 113.913 -165.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.52 121.93 7.17 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.286 0.948 . . . . 0.0 112.372 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.66 -6.84 81.72 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 125.493 1.52 . . . . 0.0 115.911 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.1 mt -81.97 150.85 66.13 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 119.766 1.783 . . . . 0.0 111.602 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -62.59 148.91 92.68 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.406 2.737 . . . . 0.0 112.652 172.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.03 -49.78 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.7 p -107.7 168.66 9.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.591 1.156 . . . . 0.0 113.144 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -39.44 68.51 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 121.051 -1.031 . . . . 0.0 111.724 169.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.2 m -72.74 -35.32 67.48 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.3 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.12 -43.54 95.58 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.714 1.143 . . . . 0.0 111.13 168.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.33 98.85 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.919 0.888 . . . . 0.0 112.56 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.4 ttp-105 -58.38 -44.7 89.01 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.691 0.796 . . . . 0.0 111.8 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.38 -36.7 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.581 0.752 . . . . 0.0 110.389 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -51.19 70.51 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.529 0.732 . . . . 0.0 111.996 171.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -57.26 -45.17 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.193 0.597 . . . . 0.0 110.169 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -65.15 -52.28 56.05 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -61.59 -42.51 98.96 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.206 0.912 . . . . 0.0 112.864 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.92 -43.96 97.77 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.827 -0.546 . . . . 0.0 111.468 174.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -62.01 -43.16 99.42 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.245 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.39 -46.38 86.5 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.426 1.921 . . . . 0.0 111.47 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.8 -50.42 71.08 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.54 -0.725 . . . . 0.0 111.846 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.55 -30.61 71.64 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.31 -0.869 . . . . 0.0 112.628 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -74.23 -34.17 63.59 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.51 1.924 . . . . 0.0 112.075 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.35 -33.97 76.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.452 0.701 . . . . 0.0 111.743 168.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.6 m -76.18 -37.18 58.19 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -140.09 98.77 7.5 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 126.571 1.948 . . . . 0.0 110.318 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.57 -13.4 37.22 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.1 2.533 . . . . 0.0 115.483 -162.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 10.4 p90 -79.25 -11.09 59.95 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.413 1.485 . . . . 0.0 114.912 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.81 124.9 13.63 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.304 1.042 . . . . 0.0 113.167 -165.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -93.36 139.2 30.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.436 1.095 . . . . 0.0 111.981 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -112.29 127.09 55.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.413 1.485 . . . . 0.0 110.265 -174.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -142.29 103.45 4.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.788 1.235 . . . . 0.0 109.953 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -148.81 46.79 1.02 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.9 p -59.9 165.33 3.27 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.336 0.655 . . . . 0.0 112.191 163.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.09 -43.97 70.82 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.282 -0.886 . . . . 0.0 111.101 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -49.15 78.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.17 0.988 . . . . 0.0 111.255 174.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.88 -36.93 85.55 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.598 0.635 . . . . 0.0 112.688 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 68.2 mt -65.37 -48.14 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.375 -0.821 . . . . 0.0 110.53 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -68.87 -25.48 64.65 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.925 1.239 . . . . 0.0 114.034 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -79.22 -43.24 24.21 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.247 1.019 . . . . 0.0 113.006 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -70.96 -41.08 71.53 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.462 1.105 . . . . 0.0 111.884 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -127.37 87.41 56.35 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 126.164 1.786 . . . . 0.0 110.269 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -69.92 -13.45 34.29 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.497 2.132 . . . . 0.0 114.086 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -73.74 -13.79 61.02 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.28 -20.78 63.01 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.518 1.054 . . . . 0.0 113.033 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.34 1.856 . . . . 0.0 111.876 -177.873 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 119.499 -0.286 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -150.01 154.63 38.52 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.772 1.229 . . . . 0.0 113.057 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.66 165.8 11.47 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 125.068 1.318 . . . . 0.0 114.863 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.4 p -155.17 -68.94 0.12 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.341 1.056 . . . . 0.0 112.447 174.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -142.24 160.63 39.87 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.03 1.332 . . . . 0.0 113.04 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -152.1 147.48 26.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.162 1.785 . . . . 0.0 111.58 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -151.48 160.64 43.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.471 1.108 . . . . 0.0 111.973 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -61.36 -43.64 98.52 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.238 1.415 . . . . 0.0 112.975 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.6 t60 60.59 4.59 0.75 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 117.532 2.419 . . . . 0.0 117.532 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 t60 60.58 158.81 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.726 2.411 . . . . 0.0 115.975 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.93 171.18 43.28 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.885 1.231 . . . . 0.0 114.09 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 t -150.67 156.46 41.37 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.55 1.54 . . . . 0.0 110.754 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.32 111.54 4.23 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.825 0.726 . . . . 0.0 111.788 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.96 168.02 25.83 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.325 1.45 . . . . 0.0 111.662 -174.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mp -79.58 148.94 31.54 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.39 0.676 . . . . 0.0 110.978 172.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.87 136.01 53.41 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.041 1.336 . . . . 0.0 110.222 171.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.72 143.61 29.91 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.506 0.722 . . . . 0.0 111.519 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.3 mt -120.18 153.81 35.71 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.043 1.337 . . . . 0.0 110.9 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -70.75 132.58 45.57 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 164.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.0 -23.54 22.59 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -175.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -151.64 169.03 23.14 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.831 1.253 . . . . 0.0 112.287 -168.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.53 -143.88 30.93 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.496 1.046 . . . . 0.0 114.14 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.35 -31.63 81.48 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.553 2.835 . . . . 0.0 114.05 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.61 16.88 16.46 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.832 1.253 . . . . 0.0 113.774 -166.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.15 121.75 6.61 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.155 0.888 . . . . 0.0 112.445 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.76 -6.3 83.11 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 125.463 1.506 . . . . 0.0 115.837 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.5 mt -82.68 151.21 64.34 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 119.733 1.766 . . . . 0.0 111.559 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -61.22 148.67 92.25 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.22 2.613 . . . . 0.0 112.37 170.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.12 -45.67 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 118.998 -0.525 . . . . 0.0 112.353 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 p -114.52 169.31 9.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.63 1.172 . . . . 0.0 113.878 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -59.91 -37.92 80.82 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.379 1.072 . . . . 0.0 111.735 171.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 p -70.15 -38.3 75.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.758 0.823 . . . . 0.0 112.556 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -58.82 -46.91 86.55 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.976 1.262 . . . . 0.0 111.032 170.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.69 -44.14 93.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.802 0.841 . . . . 0.0 112.663 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -63.9 -40.66 97.02 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.355 -0.841 . . . . 0.0 112.609 174.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.44 -36.05 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 121.371 -0.83 . . . . 0.0 110.827 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.09 -49.45 77.25 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.641 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.96 -43.46 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 119.19 0.904 . . . . 0.0 110.383 176.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.33 -51.99 65.42 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -60.34 -44.93 95.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.802 0.841 . . . . 0.0 112.364 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -62.26 -46.88 86.85 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.596 0.758 . . . . 0.0 111.435 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -60.03 -41.9 93.23 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 123.59 0.756 . . . . 0.0 112.197 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.97 -42.48 99.18 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.126 1.33 . . . . 0.0 112.647 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -68.55 -46.92 68.2 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.486 -0.759 . . . . 0.0 111.771 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -60.75 -36.21 78.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.832 0.853 . . . . 0.0 111.452 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.34 -40.83 85.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.827 1.651 . . . . 0.0 112.082 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -61.65 -33.37 73.84 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.523 0.601 . . . . 0.0 112.582 172.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.4 m -76.07 -41.89 49.12 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 170.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.6 99.32 6.32 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 127.066 2.146 . . . . 0.0 110.174 -167.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.82 -8.34 22.2 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.419 2.746 . . . . 0.0 115.946 -160.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -81.16 2.09 29.08 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.913 1.685 . . . . 0.0 114.943 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 122.75 17.84 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.21 1.004 . . . . 0.0 113.49 -166.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -87.27 145.95 26.15 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.771 1.228 . . . . 0.0 112.342 172.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.86 123.76 43.34 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.002 1.321 . . . . 0.0 111.174 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -140.24 129.66 24.02 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.556 1.143 . . . . 0.0 110.452 166.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -159.45 40.35 0.21 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.637 1.175 . . . . 0.0 113.235 -174.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.8 p -62.09 164.55 6.61 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.302 1.041 . . . . 0.0 112.299 167.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -57.16 -32.93 66.91 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.014 -1.054 . . . . 0.0 112.029 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -51.13 70.52 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.622 0.769 . . . . 0.0 110.803 169.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.6 91.29 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.995 0.816 . . . . 0.0 112.739 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.93 -51.49 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 118.951 0.796 . . . . 0.0 110.748 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -70.58 -26.15 63.4 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.088 1.313 . . . . 0.0 113.883 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -72.32 -45.0 61.85 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.242 1.017 . . . . 0.0 112.559 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -84.11 -30.93 25.56 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.98 0.912 . . . . 0.0 113.402 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -131.53 84.38 55.79 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.661 1.984 . . . . 0.0 110.223 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -69.43 -14.17 36.7 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.519 2.146 . . . . 0.0 114.058 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -72.4 -13.65 61.51 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.71 -23.33 60.84 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.339 0.972 . . . . 0.0 113.227 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.743 1.617 . . . . 0.0 112.324 -178.074 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.0 mmm . . . . . 0 N--CA 1.5 2.037 0 N-CA-C 111.263 0.097 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -100.11 -19.96 16.22 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.46 171.99 30.91 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 124.327 0.965 . . . . 0.0 113.643 -171.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.7 p -155.51 159.49 39.79 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -174.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -142.43 115.86 9.04 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.333 1.453 . . . . 0.0 110.372 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -154.1 2.65 0.24 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.355 1.462 . . . . 0.0 112.916 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -77.85 -55.48 5.28 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.945 0.898 . . . . 0.0 113.242 -151.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -164.94 160.77 19.52 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.473 1.509 . . . . 0.0 111.838 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -153.1 119.76 5.65 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.035 0.934 . . . . 0.0 110.477 157.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -150.76 157.59 43.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.959 1.304 . . . . 0.0 111.586 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.76 -170.76 39.99 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.383 0.992 . . . . 0.0 113.349 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.9 t -140.41 133.07 28.84 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.128 1.371 . . . . 0.0 110.474 172.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.93 -161.05 37.33 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 123.818 0.723 . . . . 0.0 113.53 -170.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.73 22.29 6.89 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.057 1.343 . . . . 0.0 113.176 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -79.42 134.42 36.56 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.32 1.048 . . . . 0.0 111.56 -175.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.74 132.38 32.71 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.242 1.417 . . . . 0.0 110.011 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.39 144.3 28.89 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.826 0.85 . . . . 0.0 111.667 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.2 mt -121.49 154.91 35.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.079 1.351 . . . . 0.0 110.968 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -70.69 136.55 49.11 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.915 -0.491 . . . . 0.0 109.913 164.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.9 -22.12 20.23 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.87 171.34 17.38 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.775 1.23 . . . . 0.0 113.197 -168.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.33 -142.74 33.21 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.051 0.834 . . . . 0.0 113.918 172.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.18 -30.88 75.05 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.5 2.8 . . . . 0.0 113.993 -172.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.05 16.26 16.05 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.688 1.195 . . . . 0.0 113.875 -164.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.38 121.65 6.64 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.152 0.887 . . . . 0.0 112.327 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.01 -4.15 86.26 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.126 1.346 . . . . 0.0 115.899 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.7 mt -84.62 150.37 56.41 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 119.648 1.724 . . . . 0.0 111.63 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -62.29 148.76 92.68 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.473 2.782 . . . . 0.0 112.654 172.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.1 t -83.89 -47.93 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 p -110.94 169.03 9.04 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.745 1.218 . . . . 0.0 113.451 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.9 mtm105 -58.42 -37.39 75.26 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.224 -0.923 . . . . 0.0 111.826 169.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -66.8 -39.58 87.79 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.506 0.723 . . . . 0.0 112.129 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -61.26 -47.27 86.79 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.205 0.911 . . . . 0.0 110.902 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.66 92.26 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.73 0.812 . . . . 0.0 112.562 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -61.06 -45.42 94.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.478 1.111 . . . . 0.0 112.52 174.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.08 -34.4 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 118.621 0.646 . . . . 0.0 110.874 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.43 -51.65 68.59 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 118.732 -0.651 . . . . 0.0 111.34 170.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.8 mt -55.94 -47.19 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 118.575 0.625 . . . . 0.0 110.107 177.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -62.42 -56.78 14.94 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -71.28 -31.8 67.9 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.26 -50.72 72.52 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.769 -0.582 . . . . 0.0 110.318 167.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 48.4 t90 -57.37 -40.15 77.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.302 -0.856 . . . . 0.0 112.725 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.35 -46.91 85.38 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.303 1.41 . . . . 0.0 112.028 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -64.72 -46.17 83.45 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.44 -0.788 . . . . 0.0 111.351 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -62.42 -36.07 81.22 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.64 0.776 . . . . 0.0 110.972 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -69.99 -39.18 76.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.837 1.655 . . . . 0.0 112.49 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -63.82 -30.71 71.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.998 0.519 . . . . 0.0 112.184 171.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.8 t -77.1 -43.14 35.3 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 170.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -140.65 101.64 6.57 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 127.095 2.158 . . . . 0.0 110.52 -169.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.03 -9.36 24.47 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.42 2.747 . . . . 0.0 116.386 -159.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -84.46 3.55 35.75 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.049 1.739 . . . . 0.0 115.061 -176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 125.85 26.12 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -166.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -88.01 152.03 22.34 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.093 1.357 . . . . 0.0 112.593 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -127.74 129.88 47.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.977 1.311 . . . . 0.0 111.183 -173.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.22 118.2 13.37 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.258 1.423 . . . . 0.0 110.097 172.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -150.88 42.73 0.79 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.0 p -65.86 163.12 17.55 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.58 0.752 . . . . 0.0 110.677 166.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -58.6 -33.71 70.3 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.744 -1.222 . . . . 0.0 111.862 174.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -64.24 -46.41 83.93 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.155 0.982 . . . . 0.0 111.802 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.51 91.34 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.823 0.738 . . . . 0.0 112.202 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.24 -48.14 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.513 1.125 . . . . 0.0 110.358 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -64.07 -37.42 87.39 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.877 1.217 . . . . 0.0 113.456 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -72.48 -36.71 68.51 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -79.59 -36.62 37.82 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.372 1.069 . . . . 0.0 112.446 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -132.45 88.78 38.3 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 126.185 1.794 . . . . 0.0 110.819 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -69.29 -18.34 39.29 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.445 2.097 . . . . 0.0 113.684 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -69.51 -11.5 60.88 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.99 -10.17 59.27 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 119.191 0.905 . . . . 0.0 112.502 173.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 126.014 1.725 . . . . 0.0 112.263 173.821 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.4 mtm . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 120.231 0.062 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -124.55 158.57 32.67 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.987 1.715 . . . . 0.0 111.563 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.76 149.43 8.61 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.91 1.243 . . . . 0.0 112.883 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -156.72 160.23 39.1 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.669 1.188 . . . . 0.0 112.495 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -126.22 170.02 12.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.366 1.866 . . . . 0.0 111.747 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -70.2 -39.22 75.31 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -173.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 55.3 169.79 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.271 2.228 . . . . 0.0 115.007 -171.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -152.88 -42.14 0.1 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.66 1.584 . . . . 0.0 112.797 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 48.22 43.63 18.94 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.683 1.593 . . . . 0.0 113.669 -174.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -67.44 -21.05 65.57 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 176.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.33 -164.29 50.6 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.518 1.056 . . . . 0.0 113.731 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 t -162.65 -64.87 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.805 0.842 . . . . 0.0 112.863 170.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.69 0.31 73.55 Favored Glycine 0 CA--C 1.543 1.793 0 C-N-CA 124.652 1.12 . . . . 0.0 115.163 -170.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.51 -178.91 7.2 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.053 1.427 . . . . 0.0 113.102 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.77 144.65 25.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.872 1.269 . . . . 0.0 110.901 171.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.8 137.46 34.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.115 0.966 . . . . 0.0 111.049 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.12 137.44 34.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.344 0.658 . . . . 0.0 110.632 168.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.6 mt -120.38 152.91 37.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.974 1.31 . . . . 0.0 110.813 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -69.34 134.51 49.17 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.936 -0.478 . . . . 0.0 110.023 167.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.79 -24.08 20.44 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -151.82 169.42 22.29 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.589 1.156 . . . . 0.0 112.418 -168.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.99 -142.83 30.15 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 124.49 1.043 . . . . 0.0 114.02 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -63.21 -30.99 74.82 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.479 2.786 . . . . 0.0 113.932 -171.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.43 16.09 15.67 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.821 1.248 . . . . 0.0 113.917 -165.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.06 122.21 7.23 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.161 0.892 . . . . 0.0 112.489 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.15 -7.43 80.61 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.485 1.516 . . . . 0.0 115.957 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.2 mt -81.81 150.78 66.52 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 119.731 1.766 . . . . 0.0 111.628 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -62.79 147.09 95.1 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.331 2.687 . . . . 0.0 112.208 171.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.2 t -81.16 -48.79 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.8 p -111.73 168.63 9.41 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.596 1.158 . . . . 0.0 113.597 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -52.85 -39.77 62.82 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.263 1.025 . . . . 0.0 111.841 168.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.0 m -66.69 -43.51 84.2 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.866 0.866 . . . . 0.0 111.701 175.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -60.36 -40.88 92.32 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.057 -1.027 . . . . 0.0 111.756 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.58 91.92 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.086 0.955 . . . . 0.0 112.522 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -55.05 -45.19 75.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.258 1.023 . . . . 0.0 111.816 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.9 t -72.45 -38.43 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.394 0.678 . . . . 0.0 110.577 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -51.46 69.36 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.488 0.715 . . . . 0.0 111.825 172.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -55.74 -46.83 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.348 0.659 . . . . 0.0 110.285 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -63.21 -53.79 47.55 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -71.73 -33.47 68.74 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.018 -1.051 . . . . 0.0 113.307 -175.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.1 -44.01 95.14 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.875 -0.516 . . . . 0.0 111.101 167.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -62.32 -40.38 96.14 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.84 171.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.89 -44.0 91.07 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 121.139 1.79 . . . . 0.0 111.643 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.67 -50.0 66.56 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.535 -1.353 . . . . 0.0 112.032 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -61.39 -35.72 78.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.973 0.909 . . . . 0.0 112.25 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -68.2 -42.69 79.51 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.147 1.779 . . . . 0.0 111.725 174.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -63.07 -29.9 71.17 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.9 m -76.71 -43.38 37.71 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 168.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -138.61 102.9 7.78 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.861 2.064 . . . . 0.0 110.462 -169.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -72.32 -11.69 26.92 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.256 2.638 . . . . 0.0 115.648 -161.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -79.08 -3.47 45.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.531 1.532 . . . . 0.0 114.849 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 118.23 6.28 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -165.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 126.17 34.41 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.289 1.035 . . . . 0.0 110.77 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -95.72 124.5 39.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.657 1.583 . . . . 0.0 111.619 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -128.31 128.82 45.31 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.572 1.549 . . . . 0.0 109.303 163.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -152.73 44.72 0.68 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.89 0.852 . . . . 0.0 113.048 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.5 m -59.52 150.34 27.22 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.512 0.725 . . . . 0.0 110.856 168.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -60.11 -34.77 73.96 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.974 -1.079 . . . . 0.0 112.52 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -62.77 -42.67 99.79 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.695 0.798 . . . . 0.0 111.507 172.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.7 91.92 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.892 0.769 . . . . 0.0 112.108 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 98.5 mt -59.42 -51.47 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.103 0.961 . . . . 0.0 110.057 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -69.96 -29.68 66.86 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -77.02 -40.3 47.04 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.559 1.072 . . . . 0.0 112.993 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -77.16 -36.85 54.83 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.113 0.965 . . . . 0.0 112.135 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -125.99 85.59 59.22 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.595 1.558 . . . . 0.0 110.664 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -68.36 -17.73 44.26 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.447 2.098 . . . . 0.0 113.713 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -67.98 -12.92 61.67 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.77 -10.42 58.3 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.086 0.857 . . . . 0.0 112.854 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.846 1.658 . . . . 0.0 112.147 170.48 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -139.54 155.59 47.42 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.878 1.671 . . . . 0.0 111.779 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.48 157.91 12.63 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.577 1.084 . . . . 0.0 113.768 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 t -154.18 149.92 27.55 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.308 1.443 . . . . 0.0 111.635 175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -134.43 22.06 3.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.162 1.385 . . . . 0.0 113.779 -174.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -148.99 130.49 14.84 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -148.99 141.42 24.22 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.055 1.342 . . . . 0.0 112.239 169.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.533 ' CG ' ' H ' ' A' ' 9' ' ' HIS . 23.0 t-80 51.52 -150.92 0.27 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.759 2.024 . . . . 0.0 113.442 -176.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.533 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 44.2 t60 -139.94 159.48 42.07 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.709 1.604 . . . . 0.0 112.01 -173.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -73.41 177.31 5.32 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.166 0.987 . . . . 0.0 113.495 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.42 127.97 6.11 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.085 1.326 . . . . 0.0 113.358 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -157.8 179.72 8.94 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.962 2.105 . . . . 0.0 109.633 170.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.61 172.83 41.94 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.126 -0.984 . . . . 0.0 115.242 -176.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.56 -174.47 0.09 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.216 1.806 . . . . 0.0 113.98 -169.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.4 mt -88.66 149.78 23.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.678 1.191 . . . . 0.0 111.577 176.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.42 132.37 34.23 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.145 0.578 . . . . 0.0 111.124 171.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.25 142.33 31.21 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.581 0.753 . . . . 0.0 110.743 167.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.6 mt -121.58 153.53 37.92 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.911 1.284 . . . . 0.0 111.158 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.54 135.96 47.29 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.992 -0.442 . . . . 0.0 110.049 165.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.57 -22.48 20.31 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -151.02 171.36 17.43 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.727 1.211 . . . . 0.0 113.313 -168.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.63 -142.89 33.03 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 124.046 0.832 . . . . 0.0 114.106 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.95 -30.33 76.68 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.516 2.811 . . . . 0.0 113.916 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -116.34 15.81 15.78 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.755 1.222 . . . . 0.0 113.874 -165.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.64 122.41 8.06 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 119.337 0.971 . . . . 0.0 112.465 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.92 -6.58 80.63 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.349 1.452 . . . . 0.0 115.773 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.7 mt -80.81 150.37 69.18 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-N 119.653 1.727 . . . . 0.0 111.637 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -61.88 147.46 95.17 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.351 2.7 . . . . 0.0 112.239 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.71 -47.34 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 121.846 -0.534 . . . . 0.0 112.431 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -111.32 167.62 10.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 113.45 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -57.74 -37.23 73.25 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.265 -0.897 . . . . 0.0 111.591 171.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.3 m -65.43 -44.64 86.71 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.113 0.965 . . . . 0.0 111.684 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -58.2 -43.06 87.44 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.584 1.084 . . . . 0.0 111.646 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.33 99.08 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -62.71 -39.91 95.5 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.313 -0.867 . . . . 0.0 112.213 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.27 -41.02 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.165 0.986 . . . . 0.0 110.195 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.8 -50.71 72.34 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.735 174.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.82 -46.02 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 118.42 0.555 . . . . 0.0 110.386 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -65.48 -54.27 30.75 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -58.72 -45.76 88.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.448 0.699 . . . . 0.0 112.236 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.48 -51.72 67.5 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.933 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -53.63 -42.88 68.23 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.753 1.161 . . . . 0.0 112.374 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -61.91 -43.47 98.77 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.785 1.175 . . . . 0.0 111.529 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.09 -41.88 81.19 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 121.075 -1.015 . . . . 0.0 113.062 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? -60.49 -35.67 76.48 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.772 -1.205 . . . . 0.0 110.96 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -70.27 -37.59 74.92 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.263 1.425 . . . . 0.0 111.963 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -61.89 -35.26 77.81 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.352 0.524 . . . . 0.0 111.813 169.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -73.26 -43.38 61.19 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 171.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -138.95 104.34 7.4 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.808 2.043 . . . . 0.0 110.454 -171.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.38 -18.62 44.05 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.22 2.613 . . . . 0.0 116.014 -158.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.7 p90 -81.98 -3.1 53.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.63 1.972 . . . . 0.0 115.39 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 124.91 18.07 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.434 1.093 . . . . 0.0 113.638 -164.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.6 mtm180 -90.3 144.27 25.99 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.638 1.175 . . . . 0.0 112.869 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -119.95 129.44 54.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.198 1.399 . . . . 0.0 111.222 -170.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -138.65 114.9 10.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.18 1.392 . . . . 0.0 110.837 174.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -150.45 43.79 0.85 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 t -53.57 152.24 5.21 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.907 0.883 . . . . 0.0 110.992 160.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -54.8 -35.1 63.5 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.079 -1.013 . . . . 0.0 112.388 171.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -64.83 -38.71 91.9 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.384 0.674 . . . . 0.0 111.884 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.32 79.87 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.394 0.678 . . . . 0.0 112.118 174.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.1 mm -59.2 -51.73 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 119.293 0.951 . . . . 0.0 110.233 170.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.36 -28.68 67.33 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -75.3 -40.67 58.31 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.304 0.956 . . . . 0.0 113.106 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -78.52 -34.13 47.48 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.126 0.971 . . . . 0.0 112.763 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -133.21 91.65 27.16 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.356 1.863 . . . . 0.0 110.17 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.45 -15.16 31.08 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.576 2.184 . . . . 0.0 114.134 -174.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -74.67 -12.69 60.49 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.47 -24.56 60.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.364 0.984 . . . . 0.0 112.998 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.288 0 C-N-CA 124.753 1.221 . . . . 0.0 112.536 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptm . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -145.82 165.16 29.69 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.853 1.661 . . . . 0.0 111.687 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.35 23.27 63.34 Favored Glycine 0 CA--C 1.535 1.318 0 N-CA-C 116.506 1.363 . . . . 0.0 116.506 163.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -139.56 134.43 32.15 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.688 1.244 . . . . 0.0 111.95 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -143.02 -38.06 0.35 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.708 1.203 . . . . 0.0 113.887 -173.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -157.03 129.05 7.23 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.933 1.693 . . . . 0.0 109.369 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -149.24 -30.57 0.24 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.728 2.121 . . . . 0.0 116.728 -170.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -150.6 80.38 1.34 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 120.454 1.479 . . . . 0.0 113.002 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -79.86 147.7 31.63 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.21 0.529 . . . . 0.0 111.867 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -158.74 -179.2 7.85 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.441 1.896 . . . . 0.0 109.821 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.25 162.25 31.73 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.146 0.879 . . . . 0.0 114.513 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 t -149.91 -62.46 0.21 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.04 7.29 86.66 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 -176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.49 -176.76 2.4 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 118.603 1.202 . . . . 0.0 113.241 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.37 156.33 16.37 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.196 1.398 . . . . 0.0 111.222 170.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.54 140.82 49.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.844 1.258 . . . . 0.0 112.031 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.78 147.42 23.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.015 1.326 . . . . 0.0 111.805 172.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.6 mt -123.11 155.73 36.38 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.132 1.373 . . . . 0.0 111.298 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -70.71 136.97 49.34 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.965 -0.46 . . . . 0.0 109.888 164.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.55 -22.71 19.37 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -151.39 168.35 25.1 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.456 1.102 . . . . 0.0 112.493 -168.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.22 -143.16 31.51 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 124.672 1.13 . . . . 0.0 114.027 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.08 -31.99 83.51 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.541 2.827 . . . . 0.0 113.936 -171.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -115.31 16.24 16.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.711 1.204 . . . . 0.0 113.796 -165.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.45 122.05 7.32 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.156 0.889 . . . . 0.0 112.228 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.61 -3.69 86.81 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 125.201 1.381 . . . . 0.0 115.827 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.4 mt -85.44 150.99 55.44 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 119.65 1.725 . . . . 0.0 111.596 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -63.45 149.13 91.92 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.493 2.795 . . . . 0.0 112.588 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.7 t -84.36 -46.43 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 p -112.02 169.48 8.82 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.734 1.214 . . . . 0.0 113.457 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -53.91 -42.16 68.43 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 121.297 -0.877 . . . . 0.0 111.895 167.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.6 m -65.94 -39.78 90.79 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.677 0.791 . . . . 0.0 111.855 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.89 -47.25 87.25 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.088 0.858 . . . . 0.0 111.203 172.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.8 98.09 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.717 0.807 . . . . 0.0 112.544 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -61.7 -42.56 99.1 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.469 1.108 . . . . 0.0 112.013 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.09 -33.2 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.852 0.861 . . . . 0.0 111.319 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.51 -49.1 78.08 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.82 0.736 . . . . 0.0 111.415 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.2 mt -56.19 -46.07 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 122.924 0.49 . . . . 0.0 110.42 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -62.61 -53.62 51.86 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -62.22 -42.86 99.69 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.738 0.699 . . . . 0.0 112.253 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.47 -46.24 89.4 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.035 0.534 . . . . 0.0 111.648 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.37 -44.88 89.05 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 118.688 -0.672 . . . . 0.0 112.21 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.84 -44.19 90.6 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.799 1.182 . . . . 0.0 111.746 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.65 -46.84 80.79 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.289 -0.882 . . . . 0.0 111.889 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -62.98 -28.86 70.38 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 117.62 -1.181 . . . . 0.0 112.245 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.32 -37.01 71.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.696 1.589 . . . . 0.0 111.751 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -62.0 -33.28 74.04 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.603 0.638 . . . . 0.0 111.836 168.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -75.64 -37.84 59.37 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 169.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -143.41 95.97 5.85 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 127.005 2.122 . . . . 0.0 110.623 -167.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.18 -9.81 27.32 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.179 2.586 . . . . 0.0 115.91 -163.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 11.0 p90 -82.68 -1.4 51.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.001 1.72 . . . . 0.0 115.106 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.68 123.74 18.33 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.297 1.039 . . . . 0.0 113.552 -167.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.75 151.79 25.03 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.541 1.136 . . . . 0.0 112.586 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -130.38 123.3 29.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.789 1.236 . . . . 0.0 110.346 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -137.05 119.99 16.42 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.728 1.211 . . . . 0.0 110.317 171.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -149.66 41.24 0.85 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.5 t -66.03 159.92 24.87 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.475 0.71 . . . . 0.0 111.039 163.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -57.33 -33.01 67.29 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.81 -1.182 . . . . 0.0 113.32 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -62.34 -39.92 94.67 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.562 0.745 . . . . 0.0 111.74 172.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.8 76.15 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.673 -0.642 . . . . 0.0 111.922 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.12 -51.46 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.202 0.91 . . . . 0.0 110.502 171.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -67.3 -34.22 76.93 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -73.75 -34.16 64.62 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -83.42 -33.96 25.6 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.016 0.927 . . . . 0.0 113.002 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -133.85 89.47 29.83 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 126.576 1.95 . . . . 0.0 110.463 -178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -70.32 -18.36 34.43 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.348 2.032 . . . . 0.0 113.802 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -70.09 -10.64 59.41 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.34 -9.48 58.2 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.177 0.898 . . . . 0.0 112.405 173.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 . . . . . 0 C--O 1.255 1.352 0 C-N-CA 125.758 1.623 . . . . 0.0 111.917 167.535 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -147.96 136.85 21.93 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.999 1.319 . . . . 0.0 111.807 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.57 179.96 28.68 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 125.185 1.374 . . . . 0.0 116.121 171.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.1 m -142.99 158.83 43.23 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.82 2.048 . . . . 0.0 110.86 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -86.08 146.88 26.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.266 0.626 . . . . 0.0 112.049 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -145.59 136.56 24.62 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.424 1.489 . . . . 0.0 110.757 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -142.49 138.82 31.23 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.93 1.292 . . . . 0.0 111.451 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -157.0 135.76 11.63 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.846 1.259 . . . . 0.0 111.25 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -162.46 160.66 26.51 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.894 1.278 . . . . 0.0 111.275 169.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -85.21 -179.13 6.94 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.225 1.41 . . . . 0.0 114.132 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.43 -167.64 37.76 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.658 1.123 . . . . 0.0 113.728 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -134.7 163.36 29.95 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.194 1.398 . . . . 0.0 112.641 -172.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.69 -134.33 2.91 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.987 1.279 . . . . 0.0 113.999 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 61.08 -164.21 0.24 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.03 1.732 . . . . 0.0 113.366 -169.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -82.55 151.46 26.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.557 1.143 . . . . 0.0 112.597 -171.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.42 140.35 51.48 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.376 1.47 . . . . 0.0 110.74 169.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.71 143.2 28.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.919 0.888 . . . . 0.0 111.342 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.5 mt -122.55 155.25 36.66 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.026 1.331 . . . . 0.0 111.041 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -70.96 137.47 49.19 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 122.002 -0.436 . . . . 0.0 109.88 164.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.54 -22.44 18.83 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -151.26 167.94 26.28 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.534 1.133 . . . . 0.0 112.649 -168.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.28 -141.27 29.74 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.641 1.115 . . . . 0.0 114.048 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.64 -31.41 79.35 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.561 2.84 . . . . 0.0 113.956 -171.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.88 15.22 16.31 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.677 1.191 . . . . 0.0 113.907 -165.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.1 121.96 7.69 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.193 0.906 . . . . 0.0 112.294 -176.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.06 -4.61 85.75 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 125.209 1.385 . . . . 0.0 115.871 -176.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.95 149.79 60.23 Favored Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 119.654 1.727 . . . . 0.0 111.619 173.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -63.45 147.33 93.38 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.363 2.708 . . . . 0.0 112.276 173.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.62 -48.68 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 118.344 0.52 . . . . 0.0 112.384 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.5 p -110.24 169.12 8.94 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.507 1.123 . . . . 0.0 113.758 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -57.52 -37.02 72.35 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 121.487 -0.758 . . . . 0.0 111.826 169.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 m -66.58 -41.81 87.95 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.155 0.982 . . . . 0.0 111.761 174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -61.35 -44.04 97.86 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.028 0.831 . . . . 0.0 111.301 173.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.23 97.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.658 0.783 . . . . 0.0 112.484 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 50.8 ttm-85 -59.82 -44.16 94.17 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.344 1.057 . . . . 0.0 112.173 173.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.74 -37.07 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.558 0.743 . . . . 0.0 110.813 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.07 -50.76 71.99 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.557 0.617 . . . . 0.0 111.676 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.15 -43.46 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 118.517 0.599 . . . . 0.0 109.969 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -62.28 -50.35 72.05 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -64.06 -43.98 93.81 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.356 -0.84 . . . . 0.0 112.003 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.76 -45.51 92.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.997 0.919 . . . . 0.0 111.592 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.8 t90 -56.79 -51.0 70.65 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.608 0.763 . . . . 0.0 111.871 171.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -63.85 -41.57 97.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.443 1.02 . . . . 0.0 111.954 -174.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.06 -49.45 75.94 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.351 -0.843 . . . . 0.0 111.69 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -65.47 -24.86 67.26 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.214 -0.929 . . . . 0.0 112.323 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -74.76 -35.84 62.58 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.122 1.369 . . . . 0.0 112.339 173.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.9 mmt85 -63.13 -33.43 75.44 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.537 0.608 . . . . 0.0 111.44 167.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.6 m -73.78 -42.89 60.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 169.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -143.34 102.97 5.08 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.709 2.004 . . . . 0.0 110.713 -169.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.87 -10.27 26.02 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.31 2.673 . . . . 0.0 116.399 -159.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.4 p90 -84.45 0.31 50.06 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.057 1.743 . . . . 0.0 115.245 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.0 126.29 26.85 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.495 1.118 . . . . 0.0 113.508 -167.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -74.74 153.89 38.62 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.362 1.065 . . . . 0.0 113.07 170.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -126.66 98.63 5.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.864 1.265 . . . . 0.0 109.824 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -122.77 94.15 4.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.773 1.229 . . . . 0.0 110.224 -171.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -144.26 57.21 1.32 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.123 0.969 . . . . 0.0 112.818 -172.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.7 p -60.92 164.75 4.61 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.144 -0.972 . . . . 0.0 111.083 163.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.7 -38.69 75.65 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.6 -1.312 . . . . 0.0 111.374 173.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.87 -46.16 90.19 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.581 1.152 . . . . 0.0 111.618 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.33 89.74 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.603 0.638 . . . . 0.0 112.339 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.05 -44.94 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.642 1.11 . . . . 0.0 110.383 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -67.96 -31.94 72.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.572 1.078 . . . . 0.0 113.682 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -75.94 -38.74 57.27 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.922 -1.111 . . . . 0.0 113.136 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -70.61 -39.59 73.67 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.806 1.242 . . . . 0.0 111.675 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -136.02 90.83 18.05 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 126.036 1.734 . . . . 0.0 110.665 -174.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.31 -18.97 38.87 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.531 2.154 . . . . 0.0 113.884 -176.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -70.4 -10.41 59.0 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.91 -10.1 59.01 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.355 0.979 . . . . 0.0 112.45 172.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 . . . . . 0 C--O 1.257 1.458 0 C-N-CA 125.617 1.567 . . . . 0.0 111.524 164.353 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 119.355 -0.355 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 63.69 149.3 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 127.794 2.438 . . . . 0.0 114.75 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.89 168.38 36.1 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.777 1.179 . . . . 0.0 113.243 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t -152.29 146.55 25.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.931 1.292 . . . . 0.0 111.482 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -136.08 131.17 34.5 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.119 1.368 . . . . 0.0 111.355 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -153.4 122.36 6.48 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.805 1.242 . . . . 0.0 110.296 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -148.1 129.69 14.98 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.127 0.971 . . . . 0.0 110.457 171.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -74.44 166.29 23.75 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.295 1.438 . . . . 0.0 113.346 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -145.72 145.89 31.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.17 0.988 . . . . 0.0 112.12 167.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -151.94 151.9 31.82 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.878 1.671 . . . . 0.0 110.774 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.72 -170.74 39.27 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 123.914 0.768 . . . . 0.0 113.555 -173.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -158.12 136.32 10.86 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.016 0.926 . . . . 0.0 112.507 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.45 -111.57 3.84 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.918 1.247 . . . . 0.0 115.346 163.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 61.36 151.66 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.004 2.121 . . . . 0.0 114.001 -159.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.4 tp -97.38 132.85 42.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.395 1.078 . . . . 0.0 112.192 -173.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.88 128.02 47.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.299 1.04 . . . . 0.0 110.332 165.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.79 139.96 34.49 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.56 0.744 . . . . 0.0 110.827 170.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.5 mt -120.51 151.86 38.8 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.781 1.232 . . . . 0.0 111.118 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -69.09 137.06 53.19 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.026 0.531 . . . . 0.0 110.322 168.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.37 -22.26 19.04 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -151.69 168.54 24.68 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.406 1.082 . . . . 0.0 112.59 -167.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.31 -143.98 32.53 Favored Glycine 0 CA--C 1.543 1.807 0 C-N-CA 124.609 1.099 . . . . 0.0 114.177 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -62.52 -30.43 79.68 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.532 2.822 . . . . 0.0 113.977 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -115.65 14.88 16.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.737 1.215 . . . . 0.0 113.915 -165.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.21 122.83 8.32 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.4 1.0 . . . . 0.0 112.45 -177.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.48 -7.78 77.57 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.436 1.493 . . . . 0.0 115.854 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.8 mt -80.83 151.79 71.24 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 119.682 1.741 . . . . 0.0 111.524 173.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -61.68 146.69 96.57 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.2 2.6 . . . . 0.0 112.274 170.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 t -80.12 -49.36 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 119.002 -0.523 . . . . 0.0 112.235 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.5 p -110.43 168.68 9.27 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.49 1.116 . . . . 0.0 113.543 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -55.32 -39.5 70.04 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.564 1.145 . . . . 0.0 112.021 169.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.3 m -67.2 -41.29 86.05 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.971 0.909 . . . . 0.0 112.024 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -60.94 -43.73 98.24 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.25 -0.907 . . . . 0.0 111.395 173.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.32 97.55 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.845 0.858 . . . . 0.0 112.42 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -59.43 -42.95 93.07 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.185 0.994 . . . . 0.0 111.991 172.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.9 t -74.75 -30.63 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.206 -0.934 . . . . 0.0 111.249 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -49.41 76.08 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.051 0.94 . . . . 0.0 111.987 169.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.62 -44.41 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 122.784 0.434 . . . . 0.0 110.104 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.75 -51.23 67.93 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -60.21 -45.45 93.13 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.398 -0.814 . . . . 0.0 112.646 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.43 -52.43 65.26 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.65 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -53.78 -44.2 69.88 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.477 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.7 -47.14 85.55 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 120.13 1.332 . . . . 0.0 112.012 174.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.46 -48.7 80.6 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.627 1.103 . . . . 0.0 111.755 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -62.16 -32.34 72.95 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.622 0.769 . . . . 0.0 111.681 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -75.34 -36.06 61.09 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.701 1.137 . . . . 0.0 112.035 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -69.67 -26.52 64.43 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.496 1.118 . . . . 0.0 111.851 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.0 p -87.38 -34.88 18.63 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 166.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -135.25 100.76 11.46 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 126.483 1.913 . . . . 0.0 111.218 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.26 -19.72 49.92 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.802 3.002 . . . . 0.0 116.45 -156.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.0 p90 -76.49 -4.47 42.79 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.456 1.902 . . . . 0.0 115.466 -174.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 120.21 7.98 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -164.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -85.18 138.38 32.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.493 1.517 . . . . 0.0 112.64 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -110.26 127.81 55.19 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.372 1.469 . . . . 0.0 111.362 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -138.91 122.82 17.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.634 1.574 . . . . 0.0 109.568 163.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -148.69 39.24 0.86 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.6 t -64.64 160.45 19.75 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.775 0.83 . . . . 0.0 111.317 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -59.92 -34.41 73.18 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.805 -1.185 . . . . 0.0 113.256 -171.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -64.96 -39.36 93.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.544 -0.722 . . . . 0.0 111.857 171.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.16 79.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.784 0.72 . . . . 0.0 111.967 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.7 mm -59.12 -54.1 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 118.956 0.798 . . . . 0.0 110.473 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -67.46 -30.21 69.86 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -75.37 -37.72 60.42 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.327 -0.858 . . . . 0.0 113.041 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -79.24 -37.38 38.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.043 0.937 . . . . 0.0 112.541 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.95 91.23 40.32 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 126.625 1.97 . . . . 0.0 110.263 -177.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.71 -15.53 30.18 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.522 2.148 . . . . 0.0 114.043 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -74.25 -11.58 60.32 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.56 -20.73 59.83 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.308 0.958 . . . . 0.0 112.838 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.363 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.411 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.02 140.32 51.68 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.048 1.339 . . . . 0.0 111.804 174.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.53 -61.81 1.6 Allowed Glycine 0 N--CA 1.473 1.15 0 C-N-CA 124.44 1.019 . . . . 0.0 111.624 169.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.79 38.42 30.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.043 1.737 . . . . 0.0 114.357 174.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -81.94 -39.49 23.65 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.363 1.065 . . . . 0.0 113.345 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 51.97 32.85 10.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.648 1.979 . . . . 0.0 115.729 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -110.65 152.01 27.01 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.246 1.418 . . . . 0.0 112.116 -176.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -153.98 144.18 22.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.686 0.794 . . . . 0.0 112.818 163.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 51.76 178.21 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 127.727 2.411 . . . . 0.0 114.62 -173.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -160.36 -36.92 0.05 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.432 -1.417 . . . . 0.0 113.994 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.65 98.0 0.36 Allowed Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.121 0.867 . . . . 0.0 111.143 -163.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t -153.71 -176.86 6.02 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.815 1.646 . . . . 0.0 111.081 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.29 103.62 0.43 Allowed Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.783 1.182 . . . . 0.0 112.835 173.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.48 -175.35 4.96 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.773 1.629 . . . . 0.0 111.042 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -92.84 139.92 30.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.177 0.991 . . . . 0.0 109.963 163.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.84 135.48 36.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.801 0.84 . . . . 0.0 111.254 174.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.3 137.68 33.32 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.711 0.805 . . . . 0.0 110.602 168.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.4 mt -120.5 152.73 37.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.95 1.3 . . . . 0.0 110.728 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -69.11 135.12 50.25 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.937 -0.477 . . . . 0.0 110.092 167.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.19 -23.54 20.19 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -151.77 169.01 23.26 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.56 1.144 . . . . 0.0 112.359 -168.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.79 -143.05 30.67 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 124.621 1.105 . . . . 0.0 114.017 172.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.71 -31.63 78.79 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.487 2.792 . . . . 0.0 113.98 -171.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -115.87 16.31 16.24 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.793 1.237 . . . . 0.0 113.807 -165.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.98 122.17 7.11 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 119.32 0.964 . . . . 0.0 112.491 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.67 -7.15 80.74 Favored Glycine 0 CA--C 1.542 1.728 0 C-N-CA 125.529 1.538 . . . . 0.0 115.827 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.18 151.34 66.24 Favored Pre-proline 0 CA--C 1.547 0.842 0 CA-C-N 119.686 1.743 . . . . 0.0 111.62 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.35 147.83 93.29 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.249 2.633 . . . . 0.0 112.376 172.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.17 -50.67 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -108.1 169.32 8.7 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.597 1.159 . . . . 0.0 113.253 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -56.61 -37.62 70.93 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.099 -1.0 . . . . 0.0 111.761 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.3 m -67.38 -41.22 85.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.678 0.791 . . . . 0.0 111.968 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -61.2 -41.85 97.56 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.364 0.984 . . . . 0.0 111.5 173.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.37 -44.45 94.72 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.033 0.933 . . . . 0.0 112.445 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -56.47 -44.99 81.11 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.068 0.947 . . . . 0.0 111.511 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -73.49 -36.03 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.731 0.812 . . . . 0.0 110.779 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -50.77 72.2 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.63 0.65 . . . . 0.0 111.877 171.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.8 mt -57.48 -46.31 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.071 0.549 . . . . 0.0 110.134 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -64.23 -50.3 68.54 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -63.87 -43.21 96.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.437 0.695 . . . . 0.0 111.999 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.29 -44.79 95.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.837 0.455 . . . . 0.0 111.624 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 50.5 t90 -60.17 -44.33 95.12 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.094 -0.955 . . . . 0.0 112.097 172.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.4 -42.93 92.92 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 120.638 1.563 . . . . 0.0 112.343 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.42 -50.22 64.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.224 0.61 . . . . 0.0 111.736 174.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -63.68 -32.76 74.35 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.069 -1.02 . . . . 0.0 112.326 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -74.74 -32.02 61.98 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.569 1.947 . . . . 0.0 112.19 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.2 mtt85 -63.96 -38.34 90.71 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 118.787 0.721 . . . . 0.0 112.361 164.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.7 m -74.01 -36.52 64.47 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -140.64 98.57 7.1 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 126.573 1.949 . . . . 0.0 110.269 -168.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -72.71 -9.81 24.31 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 123.077 2.518 . . . . 0.0 115.302 -164.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.5 p90 -78.3 -2.58 38.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.541 1.536 . . . . 0.0 114.809 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.3 146.79 18.35 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.749 1.219 . . . . 0.0 113.873 -170.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.25 143.22 50.67 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.508 1.523 . . . . 0.0 111.364 170.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -111.31 126.41 54.88 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.109 1.364 . . . . 0.0 110.977 -167.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -129.27 97.68 4.66 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.299 1.04 . . . . 0.0 111.13 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -148.69 40.56 0.91 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.4 p -58.5 163.83 2.94 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.48 -0.763 . . . . 0.0 110.655 157.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.4 -34.74 69.2 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.652 -1.28 . . . . 0.0 111.766 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -66.04 -45.12 82.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.718 0.807 . . . . 0.0 111.161 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.72 94.89 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.151 0.887 . . . . 0.0 112.329 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.96 -49.67 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.017 0.927 . . . . 0.0 110.378 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -69.08 -30.82 69.22 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.931 1.242 . . . . 0.0 113.804 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -70.74 -44.12 67.46 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.23 0.923 . . . . 0.0 112.532 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -75.68 -38.09 59.01 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.328 1.051 . . . . 0.0 112.431 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -129.88 88.63 48.44 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 126.127 1.771 . . . . 0.0 110.455 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -69.84 -17.88 36.97 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.391 2.061 . . . . 0.0 113.588 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -68.72 -12.06 60.99 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -178.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.49 -10.64 59.7 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.069 0.85 . . . . 0.0 112.681 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.795 1.638 . . . . 0.0 112.045 170.042 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 61.08 163.97 0.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 127.436 2.294 . . . . 0.0 114.469 -172.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.54 143.51 5.4 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.856 1.693 . . . . 0.0 114.543 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.9 t -158.76 151.41 21.93 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.654 1.581 . . . . 0.0 111.106 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -140.72 140.11 34.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.371 1.469 . . . . 0.0 111.572 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -152.29 102.13 2.74 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.962 0.905 . . . . 0.0 111.069 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -137.34 174.81 10.21 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.949 2.099 . . . . 0.0 110.636 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -153.25 155.63 36.95 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.224 -0.923 . . . . 0.0 112.306 172.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -156.07 160.38 39.93 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.159 1.383 . . . . 0.0 111.561 170.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -85.92 -29.29 23.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.12 168.71 11.08 Favored Glycine 0 CA--C 1.541 1.717 0 C-N-CA 125.243 1.402 . . . . 0.0 115.955 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.1 m -131.27 -12.66 3.54 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -169.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.54 30.45 77.64 Favored Glycine 0 CA--C 1.541 1.711 0 CA-C-N 119.526 1.057 . . . . 0.0 115.118 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -101.25 -174.06 2.52 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.488 1.515 . . . . 0.0 114.111 -171.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 mp -92.71 156.23 17.18 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.703 1.601 . . . . 0.0 111.06 169.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.29 142.35 51.03 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.956 1.302 . . . . 0.0 111.971 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.83 141.45 28.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.673 1.189 . . . . 0.0 111.349 171.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 mt -122.03 153.96 37.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.101 1.361 . . . . 0.0 110.723 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -69.55 136.9 51.93 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.959 -0.463 . . . . 0.0 110.18 167.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.51 -23.44 19.1 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -174.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -151.79 168.7 24.25 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.434 1.094 . . . . 0.0 112.56 -167.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.14 -141.88 29.73 Favored Glycine 0 CA--C 1.542 1.74 0 C-N-CA 124.629 1.109 . . . . 0.0 114.07 172.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.84 -31.26 77.95 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.51 2.807 . . . . 0.0 113.885 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -116.43 15.78 15.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.714 1.206 . . . . 0.0 113.917 -165.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.4 122.27 7.62 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.344 0.975 . . . . 0.0 112.451 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.26 -6.06 82.72 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.424 1.487 . . . . 0.0 115.846 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.1 mt -82.88 151.06 63.37 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 119.659 1.729 . . . . 0.0 111.733 174.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -63.64 149.39 91.02 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.538 2.825 . . . . 0.0 112.511 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.6 t -85.69 -48.05 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -109.28 170.07 8.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.837 1.255 . . . . 0.0 113.341 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -55.84 -40.09 72.34 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.164 -0.96 . . . . 0.0 111.499 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -70.07 -36.46 74.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.333 0.653 . . . . 0.0 112.743 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -61.14 -43.84 98.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.607 1.094 . . . . 0.0 111.172 170.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.16 94.14 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.093 0.957 . . . . 0.0 112.446 176.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -58.93 -44.61 91.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.341 1.056 . . . . 0.0 111.712 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.8 t -73.51 -33.76 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.642 -0.661 . . . . 0.0 110.847 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -50.94 72.13 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.936 0.789 . . . . 0.0 111.809 169.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.94 -46.97 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.029 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -62.12 -51.46 67.82 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -62.52 -43.61 98.4 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.317 0.647 . . . . 0.0 112.489 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.57 -44.69 93.37 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 122.075 -0.391 . . . . 0.0 111.793 175.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -59.26 -46.98 87.07 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.052 0.941 . . . . 0.0 111.986 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -61.48 -45.94 92.11 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.926 1.239 . . . . 0.0 111.869 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -49.47 77.33 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.193 0.906 . . . . 0.0 112.312 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -64.6 -30.47 71.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.099 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.51 -39.24 77.69 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.246 1.384 . . . . 0.0 111.939 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.2 mmm-85 -63.15 -31.99 73.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.779 0.832 . . . . 0.0 111.241 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.0 m -77.0 -40.13 47.82 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 168.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -141.93 98.01 6.35 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 126.739 2.016 . . . . 0.0 110.777 -168.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.11 -9.43 25.54 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.493 2.795 . . . . 0.0 116.518 -158.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -81.87 -1.96 49.46 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.754 1.622 . . . . 0.0 115.063 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.94 123.49 16.71 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.362 1.065 . . . . 0.0 113.525 -166.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -86.37 141.22 29.35 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.348 1.059 . . . . 0.0 112.489 175.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -107.02 126.22 52.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.009 1.324 . . . . 0.0 111.727 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -136.73 95.23 3.1 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.747 1.619 . . . . 0.0 110.305 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -148.63 44.5 1.02 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.5 p -62.98 166.43 5.77 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.313 -0.867 . . . . 0.0 110.899 162.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.88 -34.31 69.65 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.867 -1.146 . . . . 0.0 111.802 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -62.24 -52.01 65.44 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.704 0.802 . . . . 0.0 111.302 171.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.51 87.4 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.862 0.755 . . . . 0.0 112.29 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.58 -50.87 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.316 1.046 . . . . 0.0 110.69 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -68.4 -28.57 67.21 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.225 1.375 . . . . 0.0 113.719 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -76.47 -39.88 51.94 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.017 0.927 . . . . 0.0 113.116 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -79.64 -36.67 37.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.51 1.124 . . . . 0.0 112.575 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -127.14 84.95 62.16 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.499 1.92 . . . . 0.0 110.314 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.55 -18.81 48.89 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.341 2.027 . . . . 0.0 113.686 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -68.34 -12.23 60.76 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.49 -11.29 60.71 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.212 0.914 . . . . 0.0 112.357 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.89 1.676 . . . . 0.0 111.757 166.435 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 119.455 -0.307 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 52.22 41.38 30.24 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 125.811 1.645 . . . . 0.0 114.019 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.89 145.36 44.91 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.302 0.953 . . . . 0.0 113.573 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -155.17 159.18 39.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.39 1.476 . . . . 0.0 111.441 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -147.07 157.2 43.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.463 1.505 . . . . 0.0 112.397 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -149.18 153.28 37.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.282 1.433 . . . . 0.0 111.967 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -141.38 106.44 4.97 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.974 1.31 . . . . 0.0 109.992 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -156.26 152.1 27.32 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.421 1.089 . . . . 0.0 112.116 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -158.36 154.82 27.64 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.694 1.198 . . . . 0.0 113.491 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -154.03 147.09 24.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.291 1.836 . . . . 0.0 109.193 167.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.73 162.68 32.77 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.077 0.846 . . . . 0.0 113.498 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.4 p -137.74 9.35 2.85 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -169.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.85 -139.97 32.27 Favored Glycine 0 CA--C 1.539 1.555 0 O-C-N 121.113 -0.992 . . . . 0.0 113.182 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.89 -167.72 0.15 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.918 1.687 . . . . 0.0 114.301 -176.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 tp -89.66 140.31 29.69 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.382 1.473 . . . . 0.0 112.526 -173.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.48 137.47 36.38 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.353 1.061 . . . . 0.0 111.31 165.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.66 144.2 27.25 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.216 1.006 . . . . 0.0 111.398 170.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 mt -122.23 154.53 37.4 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.012 1.325 . . . . 0.0 111.369 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -70.39 137.51 50.55 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.728 0.411 . . . . 0.0 110.078 165.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.74 -24.52 17.79 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -175.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -145.79 169.48 18.45 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.175 1.39 . . . . 0.0 112.853 -169.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.99 -145.36 34.94 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 124.24 0.924 . . . . 0.0 114.21 171.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.08 -30.9 83.27 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.552 2.834 . . . . 0.0 113.963 -172.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -114.58 15.43 17.73 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.79 1.236 . . . . 0.0 113.884 -165.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.33 122.49 7.9 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.35 0.977 . . . . 0.0 112.225 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.78 -5.38 83.94 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.334 1.445 . . . . 0.0 115.88 -176.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.95 150.86 62.72 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 119.561 1.68 . . . . 0.0 111.622 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.29 146.41 93.7 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.287 2.658 . . . . 0.0 112.05 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.8 t -80.55 -50.06 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.847 -0.533 . . . . 0.0 112.345 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.7 p -109.13 170.35 8.11 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.538 1.135 . . . . 0.0 113.324 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -59.75 -34.22 72.68 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.103 -0.998 . . . . 0.0 111.975 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.8 t -66.69 -42.82 85.88 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.512 0.725 . . . . 0.0 111.428 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.03 -42.78 99.12 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 120.903 -1.123 . . . . 0.0 111.681 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.72 97.11 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.733 0.813 . . . . 0.0 112.591 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -57.56 -45.64 84.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.001 1.321 . . . . 0.0 111.959 171.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.15 -34.64 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.765 0.826 . . . . 0.0 110.842 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.51 -49.75 74.13 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.904 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.9 mt -55.51 -47.73 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 118.8 0.727 . . . . 0.0 109.954 176.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -64.58 -53.69 43.8 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -63.44 -41.9 98.66 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.812 0.733 . . . . 0.0 112.337 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.4 -45.81 85.99 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.209 0.604 . . . . 0.0 111.469 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -57.15 -47.18 81.79 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.304 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.39 -43.01 99.84 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 120.563 1.528 . . . . 0.0 112.266 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.83 -48.91 78.44 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.135 -0.978 . . . . 0.0 111.494 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -64.01 -28.27 69.69 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.718 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -80.21 -32.75 38.49 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.691 1.996 . . . . 0.0 112.469 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -64.51 -35.84 82.25 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.993 0.917 . . . . 0.0 111.147 165.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t -73.6 -42.54 61.4 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 172.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -136.66 102.54 9.46 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.669 1.988 . . . . 0.0 110.685 -171.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.9 -10.48 28.56 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.208 2.605 . . . . 0.0 115.68 -163.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 p90 -84.12 -3.34 58.04 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.888 1.675 . . . . 0.0 115.076 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 124.96 22.01 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.9 0.88 . . . . 0.0 113.218 -167.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -85.44 142.34 29.32 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.084 1.354 . . . . 0.0 112.575 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -125.48 125.55 43.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.291 1.436 . . . . 0.0 110.943 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -140.57 133.8 29.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.558 1.543 . . . . 0.0 110.496 172.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -162.35 72.99 0.37 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.655 1.182 . . . . 0.0 112.13 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.4 p -73.87 170.48 15.27 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.357 0.663 . . . . 0.0 110.856 157.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -59.2 -38.16 79.21 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.867 -1.146 . . . . 0.0 111.561 169.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -62.28 -42.77 99.63 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.964 0.906 . . . . 0.0 111.569 174.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.53 90.69 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.487 0.585 . . . . 0.0 112.132 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.89 -45.68 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.173 0.897 . . . . 0.0 110.474 173.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.7 -30.95 70.59 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.694 1.134 . . . . 0.0 114.008 175.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -76.28 -38.0 56.76 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.0 -1.063 . . . . 0.0 113.083 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -79.8 -32.69 40.8 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.907 1.283 . . . . 0.0 112.487 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -135.85 95.66 13.72 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 126.338 1.855 . . . . 0.0 110.357 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.3 -14.43 25.49 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.601 2.201 . . . . 0.0 114.626 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -76.94 -11.55 59.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.36 -25.83 61.68 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.459 1.027 . . . . 0.0 112.848 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.333 0 C-N-CA 124.558 1.143 . . . . 0.0 112.5 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 118.098 -0.953 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.71 172.55 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 126.276 1.83 . . . . 0.0 114.025 -168.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.64 158.5 22.99 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.818 1.199 . . . . 0.0 113.58 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 t -154.41 156.77 37.41 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.394 1.478 . . . . 0.0 111.676 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -122.01 -33.6 3.5 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.574 ' CG ' ' H ' ' A' ' 7' ' ' HIS . 17.9 t60 53.3 -165.74 0.08 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.011 1.725 . . . . 0.0 113.96 -175.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.574 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 78.3 t60 -139.54 147.16 40.82 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.748 1.619 . . . . 0.0 111.631 177.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -114.86 137.48 51.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.051 1.34 . . . . 0.0 113.951 -171.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -105.84 152.52 23.15 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.955 1.702 . . . . 0.0 111.502 170.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -141.92 168.5 19.6 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.84 1.256 . . . . 0.0 114.309 -164.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.59 135.37 3.13 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.463 1.506 . . . . 0.0 114.796 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -153.7 174.07 14.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.78 1.632 . . . . 0.0 111.082 168.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.87 41.58 0.16 Allowed Glycine 0 CA--C 1.535 1.318 0 N-CA-C 115.169 0.828 . . . . 0.0 115.169 -173.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.68 176.42 8.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.075 1.35 . . . . 0.0 112.513 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.19 153.59 18.0 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.051 1.34 . . . . 0.0 110.76 168.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.43 143.94 32.33 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.203 1.001 . . . . 0.0 112.525 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.39 143.62 26.24 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.83 1.252 . . . . 0.0 111.002 163.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mp -127.41 152.62 47.29 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.791 1.236 . . . . 0.0 111.07 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -71.52 133.26 45.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.917 0.487 . . . . 0.0 110.171 169.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.64 -20.67 19.37 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -150.37 168.17 24.91 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.791 1.236 . . . . 0.0 112.374 -168.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.53 -144.62 33.13 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 124.554 1.073 . . . . 0.0 114.062 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.88 -30.82 77.62 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.5 2.8 . . . . 0.0 114.059 -171.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -115.53 15.66 16.64 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.818 1.247 . . . . 0.0 113.879 -165.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.72 122.17 7.73 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.049 0.84 . . . . 0.0 112.195 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.82 2.52 84.19 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.929 1.252 . . . . 0.0 115.888 -176.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 mt -92.39 153.31 42.79 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 119.475 1.637 . . . . 0.0 112.004 172.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -60.66 150.82 80.26 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.181 2.587 . . . . 0.0 111.853 167.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.45 -48.92 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 118.628 0.649 . . . . 0.0 112.274 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -111.32 169.54 8.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.824 1.25 . . . . 0.0 113.779 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -55.0 -41.0 70.73 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.914 0.886 . . . . 0.0 111.612 169.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.1 m -66.23 -40.94 90.62 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.755 0.822 . . . . 0.0 111.99 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -61.08 -44.62 97.09 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.151 0.887 . . . . 0.0 111.46 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.79 98.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.653 0.781 . . . . 0.0 112.071 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.4 ttm-85 -61.94 -42.74 99.46 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.188 0.995 . . . . 0.0 112.056 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.3 t -66.28 -42.98 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.252 1.021 . . . . 0.0 110.41 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.78 -46.59 84.52 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 118.87 -0.586 . . . . 0.0 111.7 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.8 mt -56.69 -48.13 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 118.369 0.531 . . . . 0.0 110.153 173.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.59 -53.04 57.95 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.23 -42.34 98.45 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.519 -0.738 . . . . 0.0 112.617 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.57 -42.43 82.6 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.922 -0.486 . . . . 0.0 111.858 178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -58.71 -47.99 82.66 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.56 0.744 . . . . 0.0 112.016 170.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -39.76 92.51 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.7 1.2 . . . . 0.0 112.43 -178.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -71.25 -43.94 66.25 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.269 -0.895 . . . . 0.0 112.393 175.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -61.19 -31.16 70.92 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.796 171.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -71.63 -36.49 70.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.143 1.377 . . . . 0.0 112.369 175.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 45.0 mtm105 -62.33 -33.69 75.18 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.521 0.6 . . . . 0.0 111.899 168.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 m -76.91 -39.37 51.1 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -144.04 100.36 4.97 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 127.013 2.125 . . . . 0.0 110.386 -167.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.52 -10.61 27.09 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.385 2.723 . . . . 0.0 116.278 -159.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -82.88 -0.25 47.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.914 1.686 . . . . 0.0 115.194 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 126.24 26.75 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -165.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -87.05 143.03 27.5 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.329 1.451 . . . . 0.0 112.339 175.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -117.37 129.51 55.91 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.002 1.321 . . . . 0.0 111.395 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -136.92 104.48 5.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.403 1.481 . . . . 0.0 110.591 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -149.03 34.84 0.74 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.6 m -58.81 152.37 19.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.239 0.616 . . . . 0.0 109.674 157.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.35 -33.28 74.4 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.405 -1.435 . . . . 0.0 112.796 -173.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.18 -41.7 93.46 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.367 -0.833 . . . . 0.0 111.906 170.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.76 84.82 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.327 0.651 . . . . 0.0 111.915 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.62 -47.62 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.658 0.783 . . . . 0.0 110.271 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -67.04 -30.63 70.76 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -77.18 -37.62 53.28 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.125 -0.985 . . . . 0.0 113.345 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -77.44 -34.97 54.45 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.348 1.059 . . . . 0.0 112.517 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -135.9 89.0 21.72 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 126.462 1.905 . . . . 0.0 110.297 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.8 -17.33 37.43 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.457 2.105 . . . . 0.0 114.003 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -69.94 -11.28 60.75 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.52 -9.18 57.8 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.195 0.907 . . . . 0.0 112.86 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.605 1.562 . . . . 0.0 111.948 168.499 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.499 1.999 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -77.23 -43.34 33.9 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 119.397 0.999 . . . . 0.0 112.142 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.47 161.12 44.41 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.523 1.058 . . . . 0.0 112.604 166.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.2 p -151.43 -59.42 0.17 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.216 1.406 . . . . 0.0 110.802 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.8 m80 55.4 33.5 21.01 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.587 1.955 . . . . 0.0 114.686 167.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -73.68 144.94 45.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.424 1.089 . . . . 0.0 111.682 174.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -137.67 -70.85 0.44 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.279 1.032 . . . . 0.0 112.696 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.3 t60 57.47 151.86 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 128.81 2.844 . . . . 0.0 117.438 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -116.96 132.96 56.57 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.548 1.539 . . . . 0.0 112.274 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -147.51 171.28 15.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.936 2.095 . . . . 0.0 109.823 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.37 133.52 3.29 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.522 0.582 . . . . 0.0 112.569 168.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.2 p -151.79 95.97 2.17 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.279 1.032 . . . . 0.0 111.158 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.49 94.46 0.94 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.317 0.961 . . . . 0.0 111.453 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -147.05 179.2 7.78 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.354 1.462 . . . . 0.0 112.131 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.16 150.37 24.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.093 0.957 . . . . 0.0 110.958 166.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.1 133.81 55.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.51 1.124 . . . . 0.0 110.963 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.79 141.99 30.99 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.9 0.88 . . . . 0.0 111.03 172.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.7 mt -122.13 154.55 37.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.985 1.314 . . . . 0.0 111.023 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.69 135.27 48.19 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.948 -0.47 . . . . 0.0 109.865 164.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 -23.52 20.65 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.65 168.28 25.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.687 1.195 . . . . 0.0 112.445 -168.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.34 -142.21 29.98 Favored Glycine 0 CA--C 1.543 1.796 0 C-N-CA 124.639 1.114 . . . . 0.0 114.091 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.08 -31.9 83.54 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.515 2.81 . . . . 0.0 113.994 -171.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.73 16.22 16.38 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.717 1.207 . . . . 0.0 113.769 -166.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.77 121.97 7.45 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.202 0.91 . . . . 0.0 112.445 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.89 -5.41 83.98 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 125.313 1.435 . . . . 0.0 115.811 -176.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.1 mt -82.17 149.66 62.81 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 119.611 1.706 . . . . 0.0 111.7 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -63.93 147.22 92.05 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.477 2.785 . . . . 0.0 112.273 173.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.9 t -82.35 -48.75 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 112.476 0.546 . . . . 0.0 112.476 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -109.32 169.21 8.84 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.636 1.174 . . . . 0.0 113.677 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -55.21 -40.47 70.82 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.031 0.932 . . . . 0.0 111.822 169.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.2 m -67.16 -40.14 86.61 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 118.517 -0.754 . . . . 0.0 112.427 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -60.45 -43.19 97.11 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.108 1.322 . . . . 0.0 111.279 173.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.71 93.62 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.765 0.826 . . . . 0.0 112.566 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.8 ttp-105 -59.99 -43.57 95.07 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.992 0.917 . . . . 0.0 111.961 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.6 t -71.29 -35.04 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.11 0.964 . . . . 0.0 110.681 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.7 -51.91 66.48 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.757 0.708 . . . . 0.0 111.708 170.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.4 mt -55.61 -46.84 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.247 0.476 . . . . 0.0 109.966 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.98 -55.07 21.24 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -63.56 -41.64 98.4 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.151 0.887 . . . . 0.0 112.425 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -62.23 -49.12 77.0 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.817 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -55.04 -45.04 75.19 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 117.953 -1.022 . . . . 0.0 111.808 172.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.38 -44.05 97.82 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 120.486 1.494 . . . . 0.0 111.559 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.27 -47.99 80.07 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.468 -0.77 . . . . 0.0 112.175 172.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -63.58 -29.63 70.86 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.587 0.755 . . . . 0.0 111.948 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -76.86 -33.11 57.88 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.187 2.195 . . . . 0.0 111.441 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.1 ttt-85 -64.26 -39.94 94.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.438 1.095 . . . . 0.0 112.33 168.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.6 p -83.08 -33.14 26.46 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -134.45 100.77 12.39 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.569 1.948 . . . . 0.0 110.576 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.89 -10.27 27.32 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 123.322 2.681 . . . . 0.0 115.794 -161.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -82.77 -4.07 57.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.548 1.539 . . . . 0.0 114.862 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 119.38 8.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.004 0.82 . . . . 0.0 112.887 -167.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -86.59 138.8 31.4 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.127 0.971 . . . . 0.0 112.278 175.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.27 125.5 53.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.6 1.56 . . . . 0.0 110.613 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -140.44 124.39 17.39 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.247 1.419 . . . . 0.0 108.726 169.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -154.85 55.66 0.67 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.4 p -59.27 164.5 3.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.455 0.702 . . . . 0.0 112.298 162.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.98 -36.3 70.18 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.109 -0.994 . . . . 0.0 111.779 168.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -61.45 -45.94 92.16 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.296 0.638 . . . . 0.0 110.919 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.83 95.58 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.811 0.732 . . . . 0.0 112.175 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.0 mt -62.15 -49.0 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.218 1.007 . . . . 0.0 110.576 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -66.68 -34.91 78.92 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.778 1.172 . . . . 0.0 113.581 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -72.21 -37.73 69.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.918 0.887 . . . . 0.0 112.732 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -79.24 -38.12 36.39 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.097 0.959 . . . . 0.0 112.462 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -128.84 91.66 42.35 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 126.281 1.832 . . . . 0.0 110.529 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -69.77 -18.55 36.88 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 122.537 2.158 . . . . 0.0 113.967 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -71.04 -10.82 60.41 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.91 -10.91 60.13 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.129 0.877 . . . . 0.0 112.708 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.343 1.457 . . . . 0.0 112.041 170.305 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttm . . . . . 0 N--CA 1.495 1.811 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.35 122.06 8.06 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.933 1.293 . . . . 0.0 110.53 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.85 167.88 34.86 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.46 1.029 . . . . 0.0 113.484 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.8 p -163.23 152.7 15.08 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.908 1.683 . . . . 0.0 111.179 174.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -156.3 162.78 40.08 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.29 1.036 . . . . 0.0 113.2 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -135.57 152.49 51.32 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.407 1.883 . . . . 0.0 109.652 167.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -138.36 37.12 2.28 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.145 0.978 . . . . 0.0 113.267 -171.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -130.2 113.08 14.01 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.87 1.268 . . . . 0.0 111.781 -169.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -155.81 153.2 29.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.257 1.423 . . . . 0.0 111.009 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -151.68 159.68 43.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.27 1.428 . . . . 0.0 112.18 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.62 -24.79 0.27 Allowed Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.84 1.21 . . . . 0.0 114.223 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.9 m -73.58 149.28 42.24 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.631 1.173 . . . . 0.0 113.756 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -171.95 38.2 0.16 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.539 1.066 . . . . 0.0 113.457 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -147.29 -177.28 5.6 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.785 1.634 . . . . 0.0 112.011 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -88.45 149.37 23.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.695 1.198 . . . . 0.0 110.836 170.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.9 134.63 36.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.752 0.821 . . . . 0.0 111.22 171.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.87 140.26 29.83 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.886 0.874 . . . . 0.0 110.872 168.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.9 mt -121.99 152.38 39.79 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.814 1.246 . . . . 0.0 110.924 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -68.58 138.35 55.02 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.853 -0.53 . . . . 0.0 110.307 168.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.54 -24.68 17.15 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -146.03 169.44 18.65 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.01 1.324 . . . . 0.0 112.845 -168.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.39 -144.09 33.85 Favored Glycine 0 CA--C 1.542 1.774 0 C-N-CA 124.178 0.894 . . . . 0.0 114.165 171.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.74 -30.1 77.87 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.515 2.81 . . . . 0.0 113.901 -172.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.46 14.62 16.7 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.655 1.182 . . . . 0.0 113.9 -164.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.56 122.69 8.43 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 119.518 1.053 . . . . 0.0 112.4 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.33 -6.71 81.24 Favored Glycine 0 CA--C 1.541 1.656 0 C-N-CA 125.405 1.478 . . . . 0.0 115.858 -175.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.4 mt -81.6 151.17 67.97 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 119.61 1.705 . . . . 0.0 111.566 173.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -62.92 145.97 94.69 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.269 2.646 . . . . 0.0 112.345 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.5 t -81.65 -52.37 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 119.175 -0.44 . . . . 0.0 112.131 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 p -104.13 169.73 8.32 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.474 1.109 . . . . 0.0 113.305 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.23 -35.63 80.98 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.1 -1.0 . . . . 0.0 111.436 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -66.45 -41.3 89.32 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.456 169.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -59.52 -40.95 88.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 120.17 1.35 . . . . 0.0 111.507 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.89 88.56 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.962 0.905 . . . . 0.0 112.579 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.0 ttp-105 -60.02 -41.29 91.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.986 0.914 . . . . 0.0 112.147 173.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.01 -37.31 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.446 1.098 . . . . 0.0 110.365 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.77 -50.3 74.36 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.605 0.639 . . . . 0.0 111.542 171.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -55.98 -49.28 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.131 0.572 . . . . 0.0 110.308 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.87 -51.66 63.6 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -60.82 -44.71 96.54 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.464 0.706 . . . . 0.0 112.516 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.82 -45.63 93.02 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.859 0.464 . . . . 0.0 111.899 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 48.9 t90 -58.96 -48.01 83.05 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.443 0.697 . . . . 0.0 111.823 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -70.34 -34.1 72.26 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.978 1.263 . . . . 0.0 112.859 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.42 -49.72 65.83 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.596 -1.315 . . . . 0.0 111.197 171.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -66.85 -23.25 66.0 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.909 -1.043 . . . . 0.0 112.347 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -70.76 -38.8 73.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.236 1.38 . . . . 0.0 112.011 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -60.08 -37.16 79.09 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 118.751 0.705 . . . . 0.0 111.771 167.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.4 m -71.51 -41.32 69.37 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -145.01 104.06 4.44 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 127.055 2.142 . . . . 0.0 110.36 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.78 -9.86 25.52 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 123.235 2.623 . . . . 0.0 116.109 -160.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.1 p90 -85.99 4.63 36.95 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.123 1.769 . . . . 0.0 115.193 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 126.13 26.31 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.069 0.948 . . . . 0.0 113.441 -165.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.71 147.8 31.79 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.793 1.637 . . . . 0.0 112.227 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -125.01 126.93 46.2 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.558 1.143 . . . . 0.0 111.814 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -137.23 109.83 7.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.454 1.502 . . . . 0.0 110.222 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -148.16 29.55 0.88 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.8 m -66.09 160.48 23.82 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.605 -0.684 . . . . 0.0 110.5 166.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -53.17 -41.08 64.84 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.062 -1.024 . . . . 0.0 113.256 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -33.93 74.92 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.335 -0.853 . . . . 0.0 112.514 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.64 81.61 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.612 0.642 . . . . 0.0 111.6 172.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.22 -49.0 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.819 0.848 . . . . 0.0 110.145 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -66.62 -34.74 78.54 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -73.4 -36.48 66.02 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -44.13 31.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.187 0.995 . . . . 0.0 111.028 174.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -125.81 89.61 52.07 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 126.063 1.745 . . . . 0.0 110.841 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.77 -16.81 33.29 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.476 2.117 . . . . 0.0 113.904 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -68.92 -10.76 58.92 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.8 -3.47 28.83 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.123 0.969 . . . . 0.0 112.976 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.944 1.698 . . . . 0.0 111.741 167.488 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 110.926 -0.027 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -132.4 169.6 16.29 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.996 1.719 . . . . 0.0 112.116 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.77 -152.03 20.35 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 125.048 1.308 . . . . 0.0 114.019 177.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 m 59.16 30.32 20.07 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.881 1.673 . . . . 0.0 114.804 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -70.78 147.27 49.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.289 1.036 . . . . 0.0 112.577 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -151.06 154.57 37.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.105 1.362 . . . . 0.0 111.794 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -126.28 -49.78 1.55 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 59.16 145.99 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 127.262 2.225 . . . . 0.0 114.567 -161.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -154.5 159.56 41.05 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.452 1.101 . . . . 0.0 112.621 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 60.76 17.3 7.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.609 1.964 . . . . 0.0 116.041 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.12 161.51 54.14 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.109 -0.994 . . . . 0.0 112.507 165.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -148.03 142.2 26.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.066 0.947 . . . . 0.0 112.412 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.18 147.7 43.11 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.315 0.959 . . . . 0.0 113.666 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.41 172.08 17.05 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.299 1.44 . . . . 0.0 111.544 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -83.62 150.59 25.81 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.882 0.873 . . . . 0.0 111.317 170.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.34 133.87 47.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.94 1.296 . . . . 0.0 110.672 173.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.68 144.01 28.06 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.153 0.981 . . . . 0.0 111.659 175.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.2 mt -121.65 154.57 36.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.285 1.434 . . . . 0.0 110.632 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -69.92 135.62 49.69 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.804 -0.56 . . . . 0.0 109.796 164.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.7 -23.78 20.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -174.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.73 168.5 24.85 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.566 1.146 . . . . 0.0 112.53 -168.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.26 -141.72 29.36 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.372 0.986 . . . . 0.0 114.17 173.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -62.89 -31.9 77.28 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.366 2.71 . . . . 0.0 113.742 -171.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -115.59 16.37 16.52 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -166.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.36 121.68 6.67 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.102 0.865 . . . . 0.0 112.463 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.86 -4.07 86.33 Favored Glycine 0 CA--C 1.542 1.738 0 C-N-CA 125.121 1.343 . . . . 0.0 116.083 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.4 mt -84.59 150.04 55.75 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 119.541 1.671 . . . . 0.0 111.572 173.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -62.78 148.39 93.47 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.457 2.771 . . . . 0.0 112.552 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.1 t -84.75 -48.7 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.403 -177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -109.37 169.17 8.87 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.846 1.259 . . . . 0.0 112.847 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -61.83 -35.96 79.77 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.879 -1.138 . . . . 0.0 111.508 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -65.07 -39.3 93.04 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.508 0.723 . . . . 0.0 111.899 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.14 -48.08 83.24 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.532 1.06 . . . . 0.0 110.968 172.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.43 -43.29 93.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.442 0.697 . . . . 0.0 112.66 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -60.83 -44.11 97.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.843 1.257 . . . . 0.0 112.279 174.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.0 t -71.58 -35.51 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.734 0.814 . . . . 0.0 110.907 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.68 -48.49 81.54 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.679 0.672 . . . . 0.0 111.355 170.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.5 mt -56.67 -48.9 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.438 0.563 . . . . 0.0 110.305 175.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -62.57 -51.56 66.87 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -62.37 -45.13 94.55 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.274 0.629 . . . . 0.0 111.976 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.76 -44.94 94.89 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.878 -0.514 . . . . 0.0 111.831 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -58.26 -46.81 85.3 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.059 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -64.37 -44.15 92.27 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.801 1.182 . . . . 0.0 111.946 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -64.15 -47.51 79.61 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.299 -0.876 . . . . 0.0 111.934 174.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -65.99 -26.11 67.39 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 117.535 -1.221 . . . . 0.0 112.227 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.41 -36.2 71.26 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.825 1.648 . . . . 0.0 111.886 172.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -62.34 -35.41 79.02 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.783 0.719 . . . . 0.0 111.712 168.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.0 m -73.88 -39.67 63.74 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -143.56 96.74 5.63 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 127.008 2.123 . . . . 0.0 110.114 -167.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.15 -10.07 27.42 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.444 2.762 . . . . 0.0 116.122 -160.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 8.5 p90 -81.8 -0.64 44.21 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.821 1.648 . . . . 0.0 115.017 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.07 123.99 18.45 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.058 0.943 . . . . 0.0 113.509 -167.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -87.01 144.23 26.99 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.567 1.547 . . . . 0.0 112.128 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -119.39 125.25 48.54 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.471 1.109 . . . . 0.0 111.824 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.86 120.87 15.59 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.635 1.574 . . . . 0.0 109.896 168.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -149.17 40.53 0.87 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.5 t -66.51 158.21 30.2 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.413 0.685 . . . . 0.0 111.282 168.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -53.96 -38.83 65.41 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.69 1.196 . . . . 0.0 112.111 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.87 -41.61 91.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.721 0.808 . . . . 0.0 112.178 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.06 87.98 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.492 0.717 . . . . 0.0 111.777 175.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.2 -46.5 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.504 1.122 . . . . 0.0 110.284 173.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -64.43 -39.41 93.78 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.912 1.233 . . . . 0.0 113.836 174.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.42 -37.9 80.72 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.668 0.787 . . . . 0.0 112.805 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 -80.55 -39.04 28.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.757 0.823 . . . . 0.0 112.548 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -128.74 88.09 52.98 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.242 1.817 . . . . 0.0 110.727 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.72 -17.94 42.28 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 122.473 2.115 . . . . 0.0 113.61 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -68.62 -12.45 61.35 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.64 -10.32 59.06 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.088 0.858 . . . . 0.0 112.609 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.811 1.645 . . . . 0.0 112.252 171.164 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mpp? . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 119.753 -0.165 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -125.73 11.41 7.85 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.99 152.95 10.28 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.443 1.02 . . . . 0.0 113.621 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.2 p -152.78 -23.26 0.16 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -66.88 151.9 46.68 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.977 1.311 . . . . 0.0 113.275 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -149.57 119.01 6.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.913 1.285 . . . . 0.0 111.146 174.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -70.44 115.17 9.31 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.143 0.577 . . . . 0.0 110.865 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -146.42 110.36 4.96 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.993 1.317 . . . . 0.0 110.715 -174.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -137.24 163.2 31.5 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.604 1.162 . . . . 0.0 113.613 -167.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -157.32 -48.59 0.07 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.659 1.583 . . . . 0.0 111.043 174.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.46 154.64 30.89 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.002 1.763 . . . . 0.0 114.788 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -150.02 144.61 25.92 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.031 1.332 . . . . 0.0 112.446 -178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.82 0.41 84.47 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.934 1.254 . . . . 0.0 114.694 172.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.71 165.7 22.42 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 118.604 1.202 . . . . 0.0 113.783 -176.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -101.6 153.92 19.32 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.677 1.591 . . . . 0.0 110.639 170.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.71 136.79 40.96 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.132 0.973 . . . . 0.0 112.066 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.14 146.21 24.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.731 1.212 . . . . 0.0 111.42 169.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.0 mt -121.61 154.65 36.48 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.019 1.328 . . . . 0.0 111.447 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -71.02 136.35 48.31 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 122.702 0.401 . . . . 0.0 110.008 164.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.84 -25.4 18.12 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -176.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -145.9 170.06 17.35 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.192 1.397 . . . . 0.0 112.585 -169.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.36 -144.96 33.83 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 124.198 0.904 . . . . 0.0 114.14 171.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -62.46 -30.6 80.26 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.548 2.832 . . . . 0.0 113.944 -172.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.35 15.56 16.84 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.735 1.214 . . . . 0.0 113.882 -165.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.25 122.4 7.69 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 119.246 0.93 . . . . 0.0 112.325 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.17 -6.32 81.87 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.331 1.443 . . . . 0.0 115.895 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.8 mt -81.98 151.37 66.98 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 119.643 1.722 . . . . 0.0 111.559 172.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -62.16 147.73 94.51 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.276 2.651 . . . . 0.0 112.153 171.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.41 -49.12 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -111.34 167.58 10.19 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.415 1.086 . . . . 0.0 113.683 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -49.93 -43.12 49.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.659 1.183 . . . . 0.0 111.844 166.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.9 m -67.34 -40.65 85.87 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.674 0.79 . . . . 0.0 111.986 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.9 -45.1 95.94 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.997 0.817 . . . . 0.0 111.343 173.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.01 99.58 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.945 0.898 . . . . 0.0 112.292 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -61.64 -42.43 98.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.108 0.963 . . . . 0.0 112.306 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -72.39 -36.24 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.071 0.948 . . . . 0.0 111.097 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.91 -50.76 72.12 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.538 0.608 . . . . 0.0 111.252 170.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.7 mt -55.27 -48.14 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 122.942 0.497 . . . . 0.0 110.207 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.32 -55.85 21.25 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -70.66 -33.36 70.86 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -175.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.64 -48.26 82.36 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.973 -0.455 . . . . 0.0 110.335 167.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -59.05 -39.11 81.04 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.943 -1.027 . . . . 0.0 113.256 173.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.76 -48.58 80.72 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.764 1.62 . . . . 0.0 111.531 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -64.62 -45.42 86.97 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.213 -0.929 . . . . 0.0 111.925 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -61.22 -37.5 83.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.084 0.954 . . . . 0.0 111.085 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.32 -39.92 85.9 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.593 1.557 . . . . 0.0 112.015 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.8 -33.38 74.01 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.582 0.628 . . . . 0.0 112.073 172.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.4 m -78.36 -37.39 44.41 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 170.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -142.58 94.83 6.6 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 127.0 2.12 . . . . 0.0 110.149 -167.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.05 -9.02 24.83 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.365 2.71 . . . . 0.0 116.175 -160.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -81.69 -2.48 50.62 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.731 1.612 . . . . 0.0 114.987 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 124.58 20.61 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.504 1.121 . . . . 0.0 113.73 -165.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -96.12 149.03 22.07 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.054 1.341 . . . . 0.0 112.556 173.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -122.55 120.86 35.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.073 1.349 . . . . 0.0 111.576 -165.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.3 99.38 6.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.453 1.501 . . . . 0.0 109.811 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -139.37 33.03 2.08 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.8 t -63.23 159.82 16.96 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.92 -0.488 . . . . 0.0 111.014 163.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -53.74 -42.72 68.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.54 1.136 . . . . 0.0 112.411 -175.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -63.86 -38.46 91.17 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.629 0.772 . . . . 0.0 111.453 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.54 -38.55 84.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.362 0.983 . . . . 0.0 112.184 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 60.0 mt -59.76 -52.47 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.976 0.807 . . . . 0.0 109.971 172.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -70.7 -28.6 64.88 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -78.17 -37.9 44.78 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.18 0.992 . . . . 0.0 112.875 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -75.67 -37.1 59.85 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.876 0.87 . . . . 0.0 112.062 174.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -131.67 92.04 32.1 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.719 1.608 . . . . 0.0 110.911 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.45 -18.19 29.79 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.512 2.142 . . . . 0.0 113.725 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -69.81 -11.5 60.91 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.15 -11.45 60.74 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.023 0.829 . . . . 0.0 112.687 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.522 1.529 . . . . 0.0 111.943 171.841 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -128.12 163.56 24.36 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.565 1.546 . . . . 0.0 112.246 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.87 169.0 43.8 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.313 1.435 . . . . 0.0 114.573 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.2 m -139.08 155.13 48.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.745 1.618 . . . . 0.0 112.409 -174.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -81.25 149.89 28.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.436 1.094 . . . . 0.0 112.973 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -161.09 158.95 28.53 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.693 1.597 . . . . 0.0 112.476 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -129.01 -37.95 1.67 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.947 1.699 . . . . 0.0 112.698 167.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 44.99 72.37 0.21 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.967 2.107 . . . . 0.0 113.934 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.547 ' CG ' ' H ' ' A' ' 10' ' ' HIS . 4.9 t60 -91.69 -163.5 1.05 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.521 1.128 . . . . 0.0 112.41 -177.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.547 ' H ' ' CG ' ' A' ' 9' ' ' HIS . 46.2 t-80 -140.04 162.04 36.18 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.148 1.779 . . . . 0.0 111.604 176.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.26 -173.55 33.96 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.337 0.97 . . . . 0.0 114.49 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.6 p -145.97 155.24 42.69 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.24 1.416 . . . . 0.0 112.846 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.22 126.78 10.41 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.063 0.84 . . . . 0.0 113.103 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.32 177.67 11.01 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.063 1.745 . . . . 0.0 111.033 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -89.32 142.01 28.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.112 0.965 . . . . 0.0 110.519 168.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.63 134.22 50.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.603 1.161 . . . . 0.0 110.797 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.83 137.61 35.24 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.373 0.669 . . . . 0.0 110.702 171.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 mt -120.07 152.84 36.96 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.953 1.301 . . . . 0.0 110.795 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -69.93 133.84 47.74 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.886 -0.509 . . . . 0.0 110.002 167.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.84 -24.08 21.51 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -151.99 169.24 22.83 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.618 1.167 . . . . 0.0 112.392 -168.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.0 -142.46 29.61 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.586 1.088 . . . . 0.0 114.165 172.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -62.53 -31.49 80.18 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.539 2.826 . . . . 0.0 114.019 -171.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.4 16.3 15.69 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.811 1.245 . . . . 0.0 113.784 -165.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.04 122.12 7.09 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.248 0.931 . . . . 0.0 112.492 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.01 -7.58 79.9 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.525 1.536 . . . . 0.0 115.808 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.1 mt -81.53 150.39 66.73 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.683 1.742 . . . . 0.0 111.688 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -62.33 147.61 94.66 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.306 2.67 . . . . 0.0 112.43 170.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.22 -51.66 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.3 p -107.61 168.49 9.21 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.601 1.161 . . . . 0.0 113.284 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -55.98 -37.75 69.5 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.043 -1.036 . . . . 0.0 111.744 169.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.0 m -67.41 -41.48 84.81 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.869 0.868 . . . . 0.0 111.805 175.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -60.79 -43.78 97.68 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.347 -0.846 . . . . 0.0 111.426 172.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.21 -45.87 91.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.116 0.966 . . . . 0.0 112.249 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -59.65 -42.48 92.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.053 0.941 . . . . 0.0 112.002 173.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.1 t -71.97 -38.6 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.201 -0.937 . . . . 0.0 110.711 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -51.2 70.95 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.541 0.736 . . . . 0.0 111.777 172.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.6 mt -59.82 -43.45 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.168 178.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -62.35 -52.83 62.07 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -61.28 -43.02 99.57 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.917 0.781 . . . . 0.0 112.699 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.07 -43.36 99.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.691 0.797 . . . . 0.0 111.819 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -64.24 -41.6 96.91 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.546 172.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.43 -45.41 93.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 120.671 1.578 . . . . 0.0 111.7 176.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.05 -47.75 83.3 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.268 -0.895 . . . . 0.0 111.686 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -68.36 -25.22 64.97 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.37 -0.831 . . . . 0.0 112.704 177.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -72.13 -39.51 68.76 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.052 1.296 . . . . 0.0 111.185 171.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -63.46 -33.49 75.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.223 173.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.3 p -84.23 -35.33 23.52 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 170.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -139.9 99.7 7.45 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 126.814 2.046 . . . . 0.0 111.237 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.39 -8.45 22.67 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 123.55 2.833 . . . . 0.0 116.434 -160.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -83.82 0.57 46.96 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.884 1.674 . . . . 0.0 115.139 -177.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 126.79 28.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.413 1.085 . . . . 0.0 113.848 -165.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.73 149.62 29.63 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.544 1.138 . . . . 0.0 112.843 171.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -119.14 100.02 7.08 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.203 1.001 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -116.52 76.33 1.02 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.862 1.265 . . . . 0.0 110.943 -172.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -132.51 36.1 3.59 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.6 t -60.0 157.8 12.12 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.622 -0.674 . . . . 0.0 109.902 161.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -57.2 -35.43 69.61 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.46 -1.4 . . . . 0.0 113.009 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.35 -41.49 97.14 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.942 0.897 . . . . 0.0 112.189 172.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.75 75.42 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.788 0.835 . . . . 0.0 112.471 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.66 -48.11 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 118.871 0.759 . . . . 0.0 109.832 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -71.21 -32.71 69.14 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -72.48 -36.85 68.54 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.554 1.07 . . . . 0.0 112.819 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.9 ttm105 -78.43 -37.02 44.75 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.527 1.131 . . . . 0.0 112.393 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -134.91 86.76 31.77 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.778 2.031 . . . . 0.0 110.84 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -69.1 -17.76 40.43 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.507 2.138 . . . . 0.0 113.526 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -66.35 -13.67 60.94 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.52 -11.47 60.86 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.055 0.843 . . . . 0.0 113.028 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.117 1.767 . . . . 0.0 112.619 170.342 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.282 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.004 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -94.96 160.92 14.36 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.877 1.271 . . . . 0.0 111.667 173.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.67 178.43 48.43 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.191 0.901 . . . . 0.0 114.316 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.0 p -78.92 169.9 17.51 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.433 1.493 . . . . 0.0 113.018 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -82.27 -93.25 0.06 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.7 0.8 . . . . 0.0 112.6 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -146.52 -56.01 0.27 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.312 1.045 . . . . 0.0 113.328 -173.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 59.86 8.11 1.3 Allowed 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 116.863 2.171 . . . . 0.0 116.863 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -60.6 123.87 18.68 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.028 0.931 . . . . 0.0 110.161 168.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.61 126.78 6.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.414 1.086 . . . . 0.0 109.261 -173.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -83.42 155.36 23.5 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -164.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.32 -149.62 23.03 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.944 1.735 . . . . 0.0 114.195 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -154.79 -41.85 0.09 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.618 1.167 . . . . 0.0 112.991 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.21 100.13 2.33 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.92 1.247 . . . . 0.0 111.277 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.07 178.29 10.12 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.444 1.498 . . . . 0.0 111.952 -172.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.4 mt -83.57 152.61 24.77 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.2 1.0 . . . . 0.0 111.359 167.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.65 137.41 54.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.934 1.294 . . . . 0.0 111.133 174.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.44 138.34 32.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.92 0.888 . . . . 0.0 111.016 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.8 mt -119.64 151.8 38.12 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.99 1.316 . . . . 0.0 110.644 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -68.82 134.95 50.39 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.93 -0.481 . . . . 0.0 110.157 168.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.2 -23.43 20.22 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.92 168.82 23.95 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.553 1.141 . . . . 0.0 112.387 -168.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.61 -143.17 31.04 Favored Glycine 0 CA--C 1.543 1.785 0 C-N-CA 124.511 1.053 . . . . 0.0 114.165 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.75 -30.75 78.46 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.566 2.844 . . . . 0.0 114.111 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -116.05 15.33 16.13 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.748 1.219 . . . . 0.0 113.893 -165.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.04 122.31 7.37 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.338 0.972 . . . . 0.0 112.487 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.25 -7.95 78.7 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.502 1.525 . . . . 0.0 115.838 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.4 mt -80.68 150.96 70.73 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 119.71 1.755 . . . . 0.0 111.579 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -61.39 146.56 97.06 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.197 2.598 . . . . 0.0 112.167 170.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.3 t -80.28 -51.85 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 118.997 -0.525 . . . . 0.0 112.341 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.5 p -108.15 168.62 9.16 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.324 1.05 . . . . 0.0 113.486 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -55.11 -37.31 66.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.282 1.033 . . . . 0.0 112.11 168.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -67.28 -44.04 80.29 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.716 0.806 . . . . 0.0 111.621 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.68 -42.24 92.47 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.072 -1.017 . . . . 0.0 111.719 174.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.23 94.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.265 1.026 . . . . 0.0 112.351 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -58.35 -44.31 88.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.094 0.958 . . . . 0.0 111.888 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.3 t -72.9 -35.82 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.563 0.745 . . . . 0.0 110.701 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -51.47 69.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.798 0.726 . . . . 0.0 111.836 171.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.21 -47.57 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -62.26 -54.98 32.96 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -71.25 -33.71 70.06 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.464 1.029 . . . . 0.0 113.545 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.9 -49.9 75.89 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.498 166.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -56.54 -42.4 78.42 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.379 174.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -55.4 -47.79 75.35 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 121.088 1.767 . . . . 0.0 111.094 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.77 -50.43 66.83 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.58 -0.7 . . . . 0.0 112.501 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -62.66 -32.12 73.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.171 0.988 . . . . 0.0 111.542 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -73.67 -34.98 65.16 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.977 1.711 . . . . 0.0 111.664 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -62.82 -38.91 92.63 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.82 0.848 . . . . 0.0 112.359 170.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.6 p -82.97 -33.04 26.73 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -134.85 100.85 11.86 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.426 1.89 . . . . 0.0 110.852 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.3 -10.55 27.31 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.31 2.673 . . . . 0.0 115.939 -160.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -82.68 -1.98 52.8 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.874 1.67 . . . . 0.0 114.93 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 120.29 9.97 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -164.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -82.43 135.8 35.07 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.766 1.226 . . . . 0.0 112.661 173.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -112.56 122.79 48.7 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.043 1.337 . . . . 0.0 110.994 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.56 123.9 21.96 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.93 1.292 . . . . 0.0 109.878 167.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -155.83 36.01 0.35 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.596 1.158 . . . . 0.0 113.415 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 t -57.34 155.21 9.39 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.731 -0.606 . . . . 0.0 109.931 161.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -59.86 -30.29 68.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.028 -1.045 . . . . 0.0 112.704 -171.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -63.18 -43.93 96.87 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.03 0.932 . . . . 0.0 111.585 171.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.04 84.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.399 0.68 . . . . 0.0 112.142 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.06 -53.56 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.617 0.767 . . . . 0.0 110.56 171.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -66.79 -32.09 73.15 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -74.74 -34.76 62.59 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -84.59 -32.55 23.71 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.953 0.901 . . . . 0.0 112.991 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -131.16 90.63 38.19 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 126.032 1.733 . . . . 0.0 110.248 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.53 -15.23 30.79 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.517 2.145 . . . . 0.0 114.0 -175.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -72.85 -12.36 60.95 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.94 -20.88 61.69 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.209 0.913 . . . . 0.0 113.088 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 125.831 1.652 . . . . 0.0 111.401 176.502 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 ttp . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -100.66 142.05 32.68 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.879 1.272 . . . . 0.0 111.482 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.06 -166.71 28.09 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.514 1.054 . . . . 0.0 114.397 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.9 m -134.07 -67.76 0.58 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.601 1.161 . . . . 0.0 111.776 177.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -156.44 169.01 25.59 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.543 1.537 . . . . 0.0 110.885 173.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -90.57 141.05 29.17 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.847 1.259 . . . . 0.0 111.752 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -152.65 153.24 32.9 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.78 1.232 . . . . 0.0 112.411 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -157.42 -52.35 0.07 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 173.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -79.08 141.79 37.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.904 0.882 . . . . 0.0 112.9 -175.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -101.59 -20.44 15.05 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.33 178.31 51.78 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.45 1.024 . . . . 0.0 115.189 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.5 t -156.07 -49.69 0.08 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.628 1.171 . . . . 0.0 112.792 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.91 119.86 2.11 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.194 1.378 . . . . 0.0 112.554 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.59 177.6 11.03 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.503 1.521 . . . . 0.0 111.896 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.7 tp -92.04 132.62 36.42 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.948 1.299 . . . . 0.0 110.844 169.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.21 135.79 35.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.798 0.839 . . . . 0.0 111.292 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.29 140.41 29.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.988 0.915 . . . . 0.0 111.158 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.9 mt -121.45 152.61 38.9 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.983 1.313 . . . . 0.0 111.152 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -69.38 136.31 51.5 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.013 0.525 . . . . 0.0 110.303 168.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.63 -25.75 18.15 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -146.42 170.08 17.57 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.219 1.408 . . . . 0.0 112.771 -169.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.8 -145.47 33.94 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.119 0.866 . . . . 0.0 114.21 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.16 -30.46 82.09 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.647 2.898 . . . . 0.0 113.93 -172.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -115.44 15.64 16.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.816 1.246 . . . . 0.0 113.824 -165.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.11 123.11 8.71 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.504 1.047 . . . . 0.0 112.482 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.31 -7.51 78.26 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 125.364 1.459 . . . . 0.0 115.857 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.7 mt -81.64 151.6 68.46 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 119.631 1.715 . . . . 0.0 111.811 174.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -62.33 146.66 95.74 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.308 2.672 . . . . 0.0 112.389 170.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.13 -53.89 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 119.06 -0.495 . . . . 0.0 112.228 -177.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 p -103.1 169.88 8.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.4 1.08 . . . . 0.0 113.354 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -61.05 -37.35 82.32 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.091 -1.006 . . . . 0.0 111.402 173.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 m -69.37 -36.98 77.36 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.776 171.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.73 -43.15 98.26 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.273 1.397 . . . . 0.0 111.267 171.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.85 -44.57 95.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.894 0.878 . . . . 0.0 112.422 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -57.47 -44.64 85.01 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.772 1.229 . . . . 0.0 112.014 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.39 -35.08 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.963 0.905 . . . . 0.0 110.822 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -52.19 66.58 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.738 0.699 . . . . 0.0 111.737 171.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.63 -47.21 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -60.49 -56.77 17.36 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -70.96 -33.97 70.97 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.423 1.01 . . . . 0.0 113.562 -174.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.34 -49.42 77.27 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.023 -0.423 . . . . 0.0 110.447 168.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -59.85 -40.75 89.6 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 117.411 -1.28 . . . . 0.0 112.818 173.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.05 -47.36 78.04 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.307 1.867 . . . . 0.0 111.01 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.06 -48.36 80.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.641 -0.662 . . . . 0.0 111.884 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -65.07 -33.63 76.5 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.435 -0.791 . . . . 0.0 111.839 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -76.36 -33.07 58.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.996 2.118 . . . . 0.0 112.46 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -66.4 -34.83 78.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.472 0.709 . . . . 0.0 111.847 166.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 t -74.2 -42.44 59.81 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 173.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -138.12 104.84 7.98 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.765 2.026 . . . . 0.0 110.442 -171.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.32 -11.16 28.27 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.147 2.564 . . . . 0.0 115.859 -161.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -83.44 -3.52 57.65 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.647 1.579 . . . . 0.0 114.935 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.24 123.16 16.36 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.881 0.872 . . . . 0.0 113.112 -167.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -91.68 146.43 23.78 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.507 1.123 . . . . 0.0 112.718 175.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -118.85 126.46 51.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.438 1.495 . . . . 0.0 110.72 -169.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -136.85 101.8 4.69 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.162 1.385 . . . . 0.0 110.369 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -149.14 41.64 0.91 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -174.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.8 p -63.2 169.4 3.54 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.582 -0.699 . . . . 0.0 111.176 160.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -56.3 -34.03 66.11 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.003 -1.06 . . . . 0.0 112.116 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.48 -48.51 72.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.001 0.92 . . . . 0.0 110.549 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.23 -37.97 89.32 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.11 -48.36 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.197 0.999 . . . . 0.0 110.604 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -65.14 -33.83 76.94 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 120.189 1.359 . . . . 0.0 113.252 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -72.42 -38.44 68.36 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 118.943 0.792 . . . . 0.0 113.042 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -76.95 -36.52 56.47 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.236 1.014 . . . . 0.0 112.774 175.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -136.69 92.79 14.52 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.36 1.864 . . . . 0.0 110.625 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.28 -15.22 28.44 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.488 2.125 . . . . 0.0 114.159 -175.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -71.38 -11.89 61.13 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.05 -15.64 59.53 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 124.722 1.209 . . . . 0.0 111.094 177.629 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.497 1.902 0 CA-C-O 118.824 -0.608 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -137.6 13.33 2.96 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -169.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.89 156.62 40.44 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.356 0.979 . . . . 0.0 113.641 177.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.7 m -141.45 153.06 44.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.723 1.609 . . . . 0.0 111.698 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -135.83 -85.3 0.37 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.223 1.009 . . . . 0.0 111.59 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.6 t60 45.43 76.55 0.09 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.657 1.983 . . . . 0.0 114.267 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -100.08 166.29 11.1 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.066 1.346 . . . . 0.0 111.135 169.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -145.71 153.32 40.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.557 1.143 . . . . 0.0 111.225 177.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.99 -53.12 0.12 Allowed 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -177.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.3 t60 40.98 72.57 0.15 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.495 2.318 . . . . 0.0 115.828 168.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.88 72.04 0.17 Allowed Glycine 0 N--CA 1.471 0.971 0 C-N-CA 123.379 0.514 . . . . 0.0 112.433 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -146.45 174.4 11.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.228 1.411 . . . . 0.0 112.268 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.95 52.24 0.03 OUTLIER Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.482 1.039 . . . . 0.0 113.46 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -140.93 -179.77 6.26 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.016 1.326 . . . . 0.0 112.384 -173.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.94 142.67 34.01 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.371 1.468 . . . . 0.0 110.509 169.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.47 141.77 28.38 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.931 0.892 . . . . 0.0 112.223 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.54 138.75 31.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.885 0.874 . . . . 0.0 110.651 167.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.3 mt -121.33 153.18 38.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.008 1.323 . . . . 0.0 110.991 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -68.47 135.41 51.62 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.876 -0.515 . . . . 0.0 110.0 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 -22.91 20.85 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -177.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -151.3 172.05 16.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.651 1.18 . . . . 0.0 113.149 -168.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.47 -144.25 34.0 Favored Glycine 0 CA--C 1.542 1.735 0 CA-C-O 119.212 -0.771 . . . . 0.0 114.111 172.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -63.11 -30.89 75.78 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.369 2.712 . . . . 0.0 113.875 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -116.16 16.74 15.91 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.775 1.23 . . . . 0.0 113.977 -165.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.71 122.64 7.57 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 119.187 0.903 . . . . 0.0 112.433 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.18 -6.85 80.5 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.435 1.493 . . . . 0.0 115.814 -176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.61 151.82 65.62 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.729 1.764 . . . . 0.0 111.696 174.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -63.01 146.57 94.79 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.22 2.614 . . . . 0.0 112.223 171.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.6 -49.74 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -176.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.7 p -110.38 170.03 8.35 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.579 1.152 . . . . 0.0 113.19 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -54.99 -39.79 69.39 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.182 -0.949 . . . . 0.0 111.527 168.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.5 m -65.48 -42.92 91.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.784 0.833 . . . . 0.0 111.58 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -61.04 -42.07 97.79 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.134 -0.979 . . . . 0.0 111.707 173.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.06 99.71 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.848 0.859 . . . . 0.0 112.468 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.8 ttt-85 -58.32 -44.54 88.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.6 1.16 . . . . 0.0 111.627 171.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.6 t -72.11 -35.48 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.884 0.874 . . . . 0.0 110.756 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.57 -50.24 72.07 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.782 0.833 . . . . 0.0 112.062 172.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.6 mt -55.52 -45.73 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 122.828 0.451 . . . . 0.0 109.842 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -61.75 -53.33 57.51 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -60.95 -44.54 97.12 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.938 0.79 . . . . 0.0 112.763 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.6 -46.02 87.7 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.527 0.731 . . . . 0.0 111.657 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.1 t90 -56.71 -51.07 70.22 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.921 -1.038 . . . . 0.0 111.301 170.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.44 -40.97 96.41 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.355 1.434 . . . . 0.0 112.01 -174.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.06 -50.7 70.93 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.238 -0.914 . . . . 0.0 111.816 172.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -66.66 -25.79 66.74 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.231 -0.918 . . . . 0.0 112.71 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -80.22 -34.16 37.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 127.084 2.154 . . . . 0.0 112.192 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -65.03 -34.39 78.33 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.836 0.854 . . . . 0.0 111.393 166.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.5 t -73.22 -50.82 20.34 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.16 110.15 21.55 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 127.096 2.159 . . . . 0.0 111.085 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -71.47 -9.44 25.17 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 123.353 2.702 . . . . 0.0 116.053 -162.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -89.05 0.41 56.71 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.89 1.676 . . . . 0.0 115.274 -174.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 124.94 24.46 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.976 0.91 . . . . 0.0 113.115 -169.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -79.17 157.22 27.93 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.223 1.009 . . . . 0.0 112.342 171.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -126.09 117.17 22.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.092 1.357 . . . . 0.0 110.617 -174.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.42 92.56 3.69 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.74 1.616 . . . . 0.0 110.558 -174.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -143.82 40.6 1.4 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.9 p -62.63 164.28 7.87 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.905 -0.497 . . . . 0.0 110.901 159.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -57.35 -37.24 72.28 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.76 -1.213 . . . . 0.0 111.793 171.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.69 -48.64 79.88 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.459 1.104 . . . . 0.0 111.662 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.03 -41.04 97.69 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.506 0.593 . . . . 0.0 111.998 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.76 -50.97 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.806 0.842 . . . . 0.0 110.496 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -68.43 -25.98 65.29 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.79 1.177 . . . . 0.0 113.734 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -77.62 -42.12 36.09 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.082 0.953 . . . . 0.0 113.355 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -89.12 -25.88 21.63 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.723 1.209 . . . . 0.0 113.188 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -129.62 85.7 57.75 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 126.877 2.071 . . . . 0.0 109.974 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.78 -17.32 42.17 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.512 2.141 . . . . 0.0 113.996 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -68.83 -12.4 61.49 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.64 -10.2 59.41 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.132 0.878 . . . . 0.0 112.875 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.571 1.548 . . . . 0.0 112.177 169.596 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 110.853 -0.054 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.23 137.95 35.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.244 0.618 . . . . 0.0 110.571 170.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.57 152.62 37.87 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.968 1.307 . . . . 0.0 110.779 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -69.71 137.18 51.84 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.874 -0.516 . . . . 0.0 110.1 167.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.95 -23.01 18.87 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -151.56 168.74 23.98 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.414 1.086 . . . . 0.0 112.501 -168.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.82 -142.02 30.27 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 124.635 1.112 . . . . 0.0 113.993 172.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.12 -30.75 75.6 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.47 2.78 . . . . 0.0 113.98 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -116.4 15.51 15.74 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.707 1.203 . . . . 0.0 113.913 -165.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.52 121.93 7.17 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.286 0.948 . . . . 0.0 112.372 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.66 -6.84 81.72 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 125.493 1.52 . . . . 0.0 115.911 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.1 mt -81.97 150.85 66.13 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 119.766 1.783 . . . . 0.0 111.602 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -62.59 148.91 92.68 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.406 2.737 . . . . 0.0 112.652 172.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.03 -49.78 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.7 p -107.7 168.66 9.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.591 1.156 . . . . 0.0 113.144 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -39.44 68.51 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 121.051 -1.031 . . . . 0.0 111.724 169.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.2 m -72.74 -35.32 67.48 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.3 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.12 -43.54 95.58 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.714 1.143 . . . . 0.0 111.13 168.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.33 98.85 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.919 0.888 . . . . 0.0 112.56 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.4 ttp-105 -58.38 -44.7 89.01 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.691 0.796 . . . . 0.0 111.8 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.38 -36.7 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.581 0.752 . . . . 0.0 110.389 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -51.19 70.51 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.529 0.732 . . . . 0.0 111.996 171.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -57.26 -45.17 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.193 0.597 . . . . 0.0 110.169 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -65.15 -52.28 56.05 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -61.59 -42.51 98.96 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.206 0.912 . . . . 0.0 112.864 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.92 -43.96 97.77 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.827 -0.546 . . . . 0.0 111.468 174.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -62.01 -43.16 99.42 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.245 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.39 -46.38 86.5 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.426 1.921 . . . . 0.0 111.47 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.8 -50.42 71.08 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.54 -0.725 . . . . 0.0 111.846 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.55 -30.61 71.64 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.31 -0.869 . . . . 0.0 112.628 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -74.23 -34.17 63.59 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.51 1.924 . . . . 0.0 112.075 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.35 -33.97 76.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.452 0.701 . . . . 0.0 111.743 168.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.6 m -76.18 -37.18 58.19 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -140.09 98.77 7.5 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 126.571 1.948 . . . . 0.0 110.318 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.57 -13.4 37.22 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.1 2.533 . . . . 0.0 115.483 -162.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 10.4 p90 -79.25 -11.09 59.95 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.413 1.485 . . . . 0.0 114.912 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.81 124.9 13.63 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.304 1.042 . . . . 0.0 113.167 -165.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -93.36 139.2 30.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.436 1.095 . . . . 0.0 111.981 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -112.29 127.09 55.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.413 1.485 . . . . 0.0 110.265 -174.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -142.29 103.45 4.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.788 1.235 . . . . 0.0 109.953 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -148.81 46.79 1.02 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.9 p -59.9 165.33 3.27 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.336 0.655 . . . . 0.0 112.191 163.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.09 -43.97 70.82 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.282 -0.886 . . . . 0.0 111.101 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -49.15 78.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.17 0.988 . . . . 0.0 111.255 174.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.88 -36.93 85.55 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.598 0.635 . . . . 0.0 112.688 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 68.2 mt -65.37 -48.14 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.375 -0.821 . . . . 0.0 110.53 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -68.87 -25.48 64.65 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.925 1.239 . . . . 0.0 114.034 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -79.22 -43.24 24.21 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.247 1.019 . . . . 0.0 113.006 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -70.96 -41.08 71.53 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.462 1.105 . . . . 0.0 111.884 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -127.37 87.41 56.35 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 126.164 1.786 . . . . 0.0 110.269 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -69.92 -13.45 34.29 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.497 2.132 . . . . 0.0 114.086 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -73.74 -13.79 61.02 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.28 -20.78 63.01 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.518 1.054 . . . . 0.0 113.033 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.34 1.856 . . . . 0.0 111.876 -177.873 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.72 143.61 29.91 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.506 0.722 . . . . 0.0 111.519 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.3 mt -120.18 153.81 35.71 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.043 1.337 . . . . 0.0 110.9 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -70.75 132.58 45.57 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 164.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.0 -23.54 22.59 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -175.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -151.64 169.03 23.14 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.831 1.253 . . . . 0.0 112.287 -168.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.53 -143.88 30.93 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.496 1.046 . . . . 0.0 114.14 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.35 -31.63 81.48 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.553 2.835 . . . . 0.0 114.05 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.61 16.88 16.46 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.832 1.253 . . . . 0.0 113.774 -166.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.15 121.75 6.61 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.155 0.888 . . . . 0.0 112.445 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.76 -6.3 83.11 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 125.463 1.506 . . . . 0.0 115.837 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.5 mt -82.68 151.21 64.34 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 119.733 1.766 . . . . 0.0 111.559 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -61.22 148.67 92.25 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.22 2.613 . . . . 0.0 112.37 170.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.12 -45.67 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 118.998 -0.525 . . . . 0.0 112.353 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 p -114.52 169.31 9.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.63 1.172 . . . . 0.0 113.878 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -59.91 -37.92 80.82 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.379 1.072 . . . . 0.0 111.735 171.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 p -70.15 -38.3 75.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.758 0.823 . . . . 0.0 112.556 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -58.82 -46.91 86.55 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.976 1.262 . . . . 0.0 111.032 170.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.69 -44.14 93.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.802 0.841 . . . . 0.0 112.663 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -63.9 -40.66 97.02 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.355 -0.841 . . . . 0.0 112.609 174.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.44 -36.05 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 121.371 -0.83 . . . . 0.0 110.827 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.09 -49.45 77.25 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.641 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.96 -43.46 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 119.19 0.904 . . . . 0.0 110.383 176.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.33 -51.99 65.42 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -60.34 -44.93 95.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.802 0.841 . . . . 0.0 112.364 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -62.26 -46.88 86.85 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.596 0.758 . . . . 0.0 111.435 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -60.03 -41.9 93.23 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 123.59 0.756 . . . . 0.0 112.197 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.97 -42.48 99.18 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.126 1.33 . . . . 0.0 112.647 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -68.55 -46.92 68.2 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.486 -0.759 . . . . 0.0 111.771 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -60.75 -36.21 78.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.832 0.853 . . . . 0.0 111.452 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.34 -40.83 85.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.827 1.651 . . . . 0.0 112.082 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -61.65 -33.37 73.84 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.523 0.601 . . . . 0.0 112.582 172.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.4 m -76.07 -41.89 49.12 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 170.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.6 99.32 6.32 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 127.066 2.146 . . . . 0.0 110.174 -167.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.82 -8.34 22.2 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.419 2.746 . . . . 0.0 115.946 -160.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -81.16 2.09 29.08 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.913 1.685 . . . . 0.0 114.943 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 122.75 17.84 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.21 1.004 . . . . 0.0 113.49 -166.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -87.27 145.95 26.15 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.771 1.228 . . . . 0.0 112.342 172.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.86 123.76 43.34 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.002 1.321 . . . . 0.0 111.174 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -140.24 129.66 24.02 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.556 1.143 . . . . 0.0 110.452 166.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -159.45 40.35 0.21 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.637 1.175 . . . . 0.0 113.235 -174.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.8 p -62.09 164.55 6.61 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.302 1.041 . . . . 0.0 112.299 167.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -57.16 -32.93 66.91 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.014 -1.054 . . . . 0.0 112.029 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -51.13 70.52 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.622 0.769 . . . . 0.0 110.803 169.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.6 91.29 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.995 0.816 . . . . 0.0 112.739 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.93 -51.49 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 118.951 0.796 . . . . 0.0 110.748 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -70.58 -26.15 63.4 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.088 1.313 . . . . 0.0 113.883 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -72.32 -45.0 61.85 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.242 1.017 . . . . 0.0 112.559 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -84.11 -30.93 25.56 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.98 0.912 . . . . 0.0 113.402 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -131.53 84.38 55.79 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.661 1.984 . . . . 0.0 110.223 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -69.43 -14.17 36.7 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.519 2.146 . . . . 0.0 114.058 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -72.4 -13.65 61.51 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.71 -23.33 60.84 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.339 0.972 . . . . 0.0 113.227 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.743 1.617 . . . . 0.0 112.324 -178.074 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.39 144.3 28.89 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.826 0.85 . . . . 0.0 111.667 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.2 mt -121.49 154.91 35.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.079 1.351 . . . . 0.0 110.968 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -70.69 136.55 49.11 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.915 -0.491 . . . . 0.0 109.913 164.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.9 -22.12 20.23 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.87 171.34 17.38 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.775 1.23 . . . . 0.0 113.197 -168.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.33 -142.74 33.21 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.051 0.834 . . . . 0.0 113.918 172.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.18 -30.88 75.05 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.5 2.8 . . . . 0.0 113.993 -172.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.05 16.26 16.05 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.688 1.195 . . . . 0.0 113.875 -164.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.38 121.65 6.64 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.152 0.887 . . . . 0.0 112.327 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.01 -4.15 86.26 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.126 1.346 . . . . 0.0 115.899 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.7 mt -84.62 150.37 56.41 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 119.648 1.724 . . . . 0.0 111.63 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -62.29 148.76 92.68 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.473 2.782 . . . . 0.0 112.654 172.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.1 t -83.89 -47.93 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 p -110.94 169.03 9.04 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.745 1.218 . . . . 0.0 113.451 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.9 mtm105 -58.42 -37.39 75.26 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.224 -0.923 . . . . 0.0 111.826 169.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -66.8 -39.58 87.79 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.506 0.723 . . . . 0.0 112.129 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -61.26 -47.27 86.79 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.205 0.911 . . . . 0.0 110.902 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.66 92.26 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.73 0.812 . . . . 0.0 112.562 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -61.06 -45.42 94.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.478 1.111 . . . . 0.0 112.52 174.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.08 -34.4 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 118.621 0.646 . . . . 0.0 110.874 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.43 -51.65 68.59 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 118.732 -0.651 . . . . 0.0 111.34 170.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' A' ' 101' ' ' MET . 68.8 mt -55.94 -47.19 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 118.575 0.625 . . . . 0.0 110.107 177.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -62.42 -56.78 14.94 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -71.28 -31.8 67.9 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.26 -50.72 72.52 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.769 -0.582 . . . . 0.0 110.318 167.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 48.4 t90 -57.37 -40.15 77.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.302 -0.856 . . . . 0.0 112.725 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.35 -46.91 85.38 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.303 1.41 . . . . 0.0 112.028 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -64.72 -46.17 83.45 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.44 -0.788 . . . . 0.0 111.351 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -62.42 -36.07 81.22 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.64 0.776 . . . . 0.0 110.972 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -69.99 -39.18 76.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.837 1.655 . . . . 0.0 112.49 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -63.82 -30.71 71.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.998 0.519 . . . . 0.0 112.184 171.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.8 t -77.1 -43.14 35.3 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 170.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -140.65 101.64 6.57 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 127.095 2.158 . . . . 0.0 110.52 -169.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.03 -9.36 24.47 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.42 2.747 . . . . 0.0 116.386 -159.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -84.46 3.55 35.75 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.049 1.739 . . . . 0.0 115.061 -176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 125.85 26.12 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -166.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -88.01 152.03 22.34 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.093 1.357 . . . . 0.0 112.593 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -127.74 129.88 47.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.977 1.311 . . . . 0.0 111.183 -173.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.22 118.2 13.37 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.258 1.423 . . . . 0.0 110.097 172.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.421 ' HB3' HG21 ' A' ' 83' ' ' ILE . 26.8 ptt? -150.88 42.73 0.79 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.0 p -65.86 163.12 17.55 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.58 0.752 . . . . 0.0 110.677 166.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -58.6 -33.71 70.3 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.744 -1.222 . . . . 0.0 111.862 174.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -64.24 -46.41 83.93 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.155 0.982 . . . . 0.0 111.802 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.51 91.34 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.823 0.738 . . . . 0.0 112.202 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.24 -48.14 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.513 1.125 . . . . 0.0 110.358 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -64.07 -37.42 87.39 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.877 1.217 . . . . 0.0 113.456 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -72.48 -36.71 68.51 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -79.59 -36.62 37.82 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.372 1.069 . . . . 0.0 112.446 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -132.45 88.78 38.3 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 126.185 1.794 . . . . 0.0 110.819 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -69.29 -18.34 39.29 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.445 2.097 . . . . 0.0 113.684 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -69.51 -11.5 60.88 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.99 -10.17 59.27 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 119.191 0.905 . . . . 0.0 112.502 173.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 126.014 1.725 . . . . 0.0 112.263 173.821 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.572 0 CA-C-O 120.243 0.068 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.12 137.44 34.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.344 0.658 . . . . 0.0 110.632 168.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.6 mt -120.38 152.91 37.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.974 1.31 . . . . 0.0 110.813 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -69.34 134.51 49.17 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.936 -0.478 . . . . 0.0 110.023 167.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.79 -24.08 20.44 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -151.82 169.42 22.29 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.589 1.156 . . . . 0.0 112.418 -168.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.99 -142.83 30.15 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 124.49 1.043 . . . . 0.0 114.02 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -63.21 -30.99 74.82 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.479 2.786 . . . . 0.0 113.932 -171.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.43 16.09 15.67 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.821 1.248 . . . . 0.0 113.917 -165.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.06 122.21 7.23 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.161 0.892 . . . . 0.0 112.489 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.15 -7.43 80.61 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.485 1.516 . . . . 0.0 115.957 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.2 mt -81.81 150.78 66.52 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 119.731 1.766 . . . . 0.0 111.628 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -62.79 147.09 95.1 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.331 2.687 . . . . 0.0 112.208 171.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.2 t -81.16 -48.79 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.8 p -111.73 168.63 9.41 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.596 1.158 . . . . 0.0 113.597 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -52.85 -39.77 62.82 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.263 1.025 . . . . 0.0 111.841 168.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.0 m -66.69 -43.51 84.2 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.866 0.866 . . . . 0.0 111.701 175.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -60.36 -40.88 92.32 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.057 -1.027 . . . . 0.0 111.756 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.58 91.92 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.086 0.955 . . . . 0.0 112.522 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -55.05 -45.19 75.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.258 1.023 . . . . 0.0 111.816 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.9 t -72.45 -38.43 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.394 0.678 . . . . 0.0 110.577 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -51.46 69.36 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.488 0.715 . . . . 0.0 111.825 172.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -55.74 -46.83 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.348 0.659 . . . . 0.0 110.285 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -63.21 -53.79 47.55 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -71.73 -33.47 68.74 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.018 -1.051 . . . . 0.0 113.307 -175.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.1 -44.01 95.14 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.875 -0.516 . . . . 0.0 111.101 167.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -62.32 -40.38 96.14 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.84 171.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.89 -44.0 91.07 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 121.139 1.79 . . . . 0.0 111.643 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.67 -50.0 66.56 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.535 -1.353 . . . . 0.0 112.032 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -61.39 -35.72 78.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.973 0.909 . . . . 0.0 112.25 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -68.2 -42.69 79.51 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.147 1.779 . . . . 0.0 111.725 174.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -63.07 -29.9 71.17 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.9 m -76.71 -43.38 37.71 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 168.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -138.61 102.9 7.78 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.861 2.064 . . . . 0.0 110.462 -169.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -72.32 -11.69 26.92 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.256 2.638 . . . . 0.0 115.648 -161.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -79.08 -3.47 45.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.531 1.532 . . . . 0.0 114.849 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 118.23 6.28 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -165.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 126.17 34.41 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.289 1.035 . . . . 0.0 110.77 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -95.72 124.5 39.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.657 1.583 . . . . 0.0 111.619 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -128.31 128.82 45.31 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.572 1.549 . . . . 0.0 109.303 163.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -152.73 44.72 0.68 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.89 0.852 . . . . 0.0 113.048 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.5 m -59.52 150.34 27.22 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.512 0.725 . . . . 0.0 110.856 168.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -60.11 -34.77 73.96 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.974 -1.079 . . . . 0.0 112.52 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -62.77 -42.67 99.79 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.695 0.798 . . . . 0.0 111.507 172.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.7 91.92 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.892 0.769 . . . . 0.0 112.108 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 98.5 mt -59.42 -51.47 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.103 0.961 . . . . 0.0 110.057 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -69.96 -29.68 66.86 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -77.02 -40.3 47.04 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.559 1.072 . . . . 0.0 112.993 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -77.16 -36.85 54.83 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.113 0.965 . . . . 0.0 112.135 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -125.99 85.59 59.22 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.595 1.558 . . . . 0.0 110.664 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -68.36 -17.73 44.26 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.447 2.098 . . . . 0.0 113.713 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -67.98 -12.92 61.67 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.77 -10.42 58.3 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.086 0.857 . . . . 0.0 112.854 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.846 1.658 . . . . 0.0 112.147 170.48 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.372 0.13 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.25 142.33 31.21 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.581 0.753 . . . . 0.0 110.743 167.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.6 mt -121.58 153.53 37.92 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.911 1.284 . . . . 0.0 111.158 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.54 135.96 47.29 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.992 -0.442 . . . . 0.0 110.049 165.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.57 -22.48 20.31 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -151.02 171.36 17.43 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.727 1.211 . . . . 0.0 113.313 -168.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.63 -142.89 33.03 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 124.046 0.832 . . . . 0.0 114.106 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.95 -30.33 76.68 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.516 2.811 . . . . 0.0 113.916 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -116.34 15.81 15.78 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.755 1.222 . . . . 0.0 113.874 -165.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.64 122.41 8.06 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 119.337 0.971 . . . . 0.0 112.465 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.92 -6.58 80.63 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.349 1.452 . . . . 0.0 115.773 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.7 mt -80.81 150.37 69.18 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-N 119.653 1.727 . . . . 0.0 111.637 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -61.88 147.46 95.17 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.351 2.7 . . . . 0.0 112.239 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.71 -47.34 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 121.846 -0.534 . . . . 0.0 112.431 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -111.32 167.62 10.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 113.45 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -57.74 -37.23 73.25 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.265 -0.897 . . . . 0.0 111.591 171.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.3 m -65.43 -44.64 86.71 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.113 0.965 . . . . 0.0 111.684 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -58.2 -43.06 87.44 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.584 1.084 . . . . 0.0 111.646 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.33 99.08 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -62.71 -39.91 95.5 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.313 -0.867 . . . . 0.0 112.213 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.27 -41.02 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.165 0.986 . . . . 0.0 110.195 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.8 -50.71 72.34 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.735 174.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.82 -46.02 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 118.42 0.555 . . . . 0.0 110.386 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -65.48 -54.27 30.75 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -58.72 -45.76 88.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.448 0.699 . . . . 0.0 112.236 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.48 -51.72 67.5 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.933 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -53.63 -42.88 68.23 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.753 1.161 . . . . 0.0 112.374 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -61.91 -43.47 98.77 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.785 1.175 . . . . 0.0 111.529 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.09 -41.88 81.19 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 121.075 -1.015 . . . . 0.0 113.062 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? -60.49 -35.67 76.48 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.772 -1.205 . . . . 0.0 110.96 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -70.27 -37.59 74.92 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.263 1.425 . . . . 0.0 111.963 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -61.89 -35.26 77.81 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.352 0.524 . . . . 0.0 111.813 169.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -73.26 -43.38 61.19 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 171.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -138.95 104.34 7.4 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.808 2.043 . . . . 0.0 110.454 -171.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.38 -18.62 44.05 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.22 2.613 . . . . 0.0 116.014 -158.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.7 p90 -81.98 -3.1 53.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.63 1.972 . . . . 0.0 115.39 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 124.91 18.07 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.434 1.093 . . . . 0.0 113.638 -164.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.6 mtm180 -90.3 144.27 25.99 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.638 1.175 . . . . 0.0 112.869 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -119.95 129.44 54.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.198 1.399 . . . . 0.0 111.222 -170.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -138.65 114.9 10.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.18 1.392 . . . . 0.0 110.837 174.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -150.45 43.79 0.85 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 t -53.57 152.24 5.21 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.907 0.883 . . . . 0.0 110.992 160.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -54.8 -35.1 63.5 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.079 -1.013 . . . . 0.0 112.388 171.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -64.83 -38.71 91.9 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.384 0.674 . . . . 0.0 111.884 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.32 79.87 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.394 0.678 . . . . 0.0 112.118 174.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.1 mm -59.2 -51.73 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 119.293 0.951 . . . . 0.0 110.233 170.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.36 -28.68 67.33 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -75.3 -40.67 58.31 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.304 0.956 . . . . 0.0 113.106 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -78.52 -34.13 47.48 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.126 0.971 . . . . 0.0 112.763 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -133.21 91.65 27.16 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.356 1.863 . . . . 0.0 110.17 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.45 -15.16 31.08 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.576 2.184 . . . . 0.0 114.134 -174.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -74.67 -12.69 60.49 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.47 -24.56 60.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.364 0.984 . . . . 0.0 112.998 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.288 0 C-N-CA 124.753 1.221 . . . . 0.0 112.536 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.78 147.42 23.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.015 1.326 . . . . 0.0 111.805 172.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.6 mt -123.11 155.73 36.38 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.132 1.373 . . . . 0.0 111.298 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -70.71 136.97 49.34 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.965 -0.46 . . . . 0.0 109.888 164.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.55 -22.71 19.37 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -151.39 168.35 25.1 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.456 1.102 . . . . 0.0 112.493 -168.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.22 -143.16 31.51 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 124.672 1.13 . . . . 0.0 114.027 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.08 -31.99 83.51 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.541 2.827 . . . . 0.0 113.936 -171.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -115.31 16.24 16.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.711 1.204 . . . . 0.0 113.796 -165.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.45 122.05 7.32 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.156 0.889 . . . . 0.0 112.228 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.61 -3.69 86.81 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 125.201 1.381 . . . . 0.0 115.827 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.4 mt -85.44 150.99 55.44 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 119.65 1.725 . . . . 0.0 111.596 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -63.45 149.13 91.92 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.493 2.795 . . . . 0.0 112.588 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.7 t -84.36 -46.43 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 p -112.02 169.48 8.82 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.734 1.214 . . . . 0.0 113.457 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -53.91 -42.16 68.43 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 121.297 -0.877 . . . . 0.0 111.895 167.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.6 m -65.94 -39.78 90.79 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.677 0.791 . . . . 0.0 111.855 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.89 -47.25 87.25 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.088 0.858 . . . . 0.0 111.203 172.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.8 98.09 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.717 0.807 . . . . 0.0 112.544 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -61.7 -42.56 99.1 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.469 1.108 . . . . 0.0 112.013 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.09 -33.2 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.852 0.861 . . . . 0.0 111.319 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.51 -49.1 78.08 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.82 0.736 . . . . 0.0 111.415 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.2 mt -56.19 -46.07 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 122.924 0.49 . . . . 0.0 110.42 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -62.61 -53.62 51.86 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -62.22 -42.86 99.69 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.738 0.699 . . . . 0.0 112.253 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.47 -46.24 89.4 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.035 0.534 . . . . 0.0 111.648 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.37 -44.88 89.05 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 118.688 -0.672 . . . . 0.0 112.21 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.84 -44.19 90.6 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.799 1.182 . . . . 0.0 111.746 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.65 -46.84 80.79 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.289 -0.882 . . . . 0.0 111.889 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -62.98 -28.86 70.38 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 117.62 -1.181 . . . . 0.0 112.245 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.32 -37.01 71.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.696 1.589 . . . . 0.0 111.751 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -62.0 -33.28 74.04 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.603 0.638 . . . . 0.0 111.836 168.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -75.64 -37.84 59.37 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 169.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -143.41 95.97 5.85 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 127.005 2.122 . . . . 0.0 110.623 -167.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.18 -9.81 27.32 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.179 2.586 . . . . 0.0 115.91 -163.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 11.0 p90 -82.68 -1.4 51.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.001 1.72 . . . . 0.0 115.106 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.68 123.74 18.33 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.297 1.039 . . . . 0.0 113.552 -167.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.75 151.79 25.03 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.541 1.136 . . . . 0.0 112.586 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -130.38 123.3 29.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.789 1.236 . . . . 0.0 110.346 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -137.05 119.99 16.42 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.728 1.211 . . . . 0.0 110.317 171.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -149.66 41.24 0.85 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.5 t -66.03 159.92 24.87 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.475 0.71 . . . . 0.0 111.039 163.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -57.33 -33.01 67.29 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.81 -1.182 . . . . 0.0 113.32 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -62.34 -39.92 94.67 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.562 0.745 . . . . 0.0 111.74 172.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.8 76.15 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.673 -0.642 . . . . 0.0 111.922 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.12 -51.46 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.202 0.91 . . . . 0.0 110.502 171.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -67.3 -34.22 76.93 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -73.75 -34.16 64.62 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -83.42 -33.96 25.6 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.016 0.927 . . . . 0.0 113.002 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -133.85 89.47 29.83 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 126.576 1.95 . . . . 0.0 110.463 -178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -70.32 -18.36 34.43 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.348 2.032 . . . . 0.0 113.802 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -70.09 -10.64 59.41 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.34 -9.48 58.2 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.177 0.898 . . . . 0.0 112.405 173.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 . . . . . 0 C--O 1.255 1.352 0 C-N-CA 125.758 1.623 . . . . 0.0 111.917 167.535 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 120.429 0.157 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.71 143.2 28.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.919 0.888 . . . . 0.0 111.342 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.5 mt -122.55 155.25 36.66 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.026 1.331 . . . . 0.0 111.041 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -70.96 137.47 49.19 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 122.002 -0.436 . . . . 0.0 109.88 164.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.54 -22.44 18.83 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -151.26 167.94 26.28 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.534 1.133 . . . . 0.0 112.649 -168.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.28 -141.27 29.74 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.641 1.115 . . . . 0.0 114.048 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.64 -31.41 79.35 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.561 2.84 . . . . 0.0 113.956 -171.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.88 15.22 16.31 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.677 1.191 . . . . 0.0 113.907 -165.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.1 121.96 7.69 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.193 0.906 . . . . 0.0 112.294 -176.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.06 -4.61 85.75 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 125.209 1.385 . . . . 0.0 115.871 -176.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.95 149.79 60.23 Favored Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 119.654 1.727 . . . . 0.0 111.619 173.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -63.45 147.33 93.38 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.363 2.708 . . . . 0.0 112.276 173.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.62 -48.68 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 118.344 0.52 . . . . 0.0 112.384 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.5 p -110.24 169.12 8.94 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.507 1.123 . . . . 0.0 113.758 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -57.52 -37.02 72.35 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 121.487 -0.758 . . . . 0.0 111.826 169.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 m -66.58 -41.81 87.95 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.155 0.982 . . . . 0.0 111.761 174.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -61.35 -44.04 97.86 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.028 0.831 . . . . 0.0 111.301 173.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.23 97.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.658 0.783 . . . . 0.0 112.484 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 50.8 ttm-85 -59.82 -44.16 94.17 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.344 1.057 . . . . 0.0 112.173 173.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.74 -37.07 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.558 0.743 . . . . 0.0 110.813 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.07 -50.76 71.99 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.557 0.617 . . . . 0.0 111.676 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.15 -43.46 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 118.517 0.599 . . . . 0.0 109.969 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -62.28 -50.35 72.05 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -64.06 -43.98 93.81 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.356 -0.84 . . . . 0.0 112.003 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.76 -45.51 92.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.997 0.919 . . . . 0.0 111.592 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.8 t90 -56.79 -51.0 70.65 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.608 0.763 . . . . 0.0 111.871 171.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -63.85 -41.57 97.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.443 1.02 . . . . 0.0 111.954 -174.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.06 -49.45 75.94 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.351 -0.843 . . . . 0.0 111.69 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -65.47 -24.86 67.26 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.214 -0.929 . . . . 0.0 112.323 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -74.76 -35.84 62.58 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.122 1.369 . . . . 0.0 112.339 173.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.9 mmt85 -63.13 -33.43 75.44 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.537 0.608 . . . . 0.0 111.44 167.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.6 m -73.78 -42.89 60.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 169.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -143.34 102.97 5.08 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.709 2.004 . . . . 0.0 110.713 -169.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.87 -10.27 26.02 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.31 2.673 . . . . 0.0 116.399 -159.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.4 p90 -84.45 0.31 50.06 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.057 1.743 . . . . 0.0 115.245 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.0 126.29 26.85 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.495 1.118 . . . . 0.0 113.508 -167.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -74.74 153.89 38.62 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.362 1.065 . . . . 0.0 113.07 170.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -126.66 98.63 5.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.864 1.265 . . . . 0.0 109.824 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -122.77 94.15 4.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.773 1.229 . . . . 0.0 110.224 -171.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -144.26 57.21 1.32 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.123 0.969 . . . . 0.0 112.818 -172.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.7 p -60.92 164.75 4.61 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.144 -0.972 . . . . 0.0 111.083 163.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.7 -38.69 75.65 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.6 -1.312 . . . . 0.0 111.374 173.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.87 -46.16 90.19 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.581 1.152 . . . . 0.0 111.618 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.33 89.74 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.603 0.638 . . . . 0.0 112.339 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.05 -44.94 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.642 1.11 . . . . 0.0 110.383 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -67.96 -31.94 72.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.572 1.078 . . . . 0.0 113.682 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -75.94 -38.74 57.27 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.922 -1.111 . . . . 0.0 113.136 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -70.61 -39.59 73.67 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.806 1.242 . . . . 0.0 111.675 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -136.02 90.83 18.05 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 126.036 1.734 . . . . 0.0 110.665 -174.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.31 -18.97 38.87 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.531 2.154 . . . . 0.0 113.884 -176.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -70.4 -10.41 59.0 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.91 -10.1 59.01 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.355 0.979 . . . . 0.0 112.45 172.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 . . . . . 0 C--O 1.257 1.458 0 C-N-CA 125.617 1.567 . . . . 0.0 111.524 164.353 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.79 139.96 34.49 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.56 0.744 . . . . 0.0 110.827 170.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.5 mt -120.51 151.86 38.8 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.781 1.232 . . . . 0.0 111.118 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -69.09 137.06 53.19 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.026 0.531 . . . . 0.0 110.322 168.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.37 -22.26 19.04 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -151.69 168.54 24.68 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.406 1.082 . . . . 0.0 112.59 -167.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.31 -143.98 32.53 Favored Glycine 0 CA--C 1.543 1.807 0 C-N-CA 124.609 1.099 . . . . 0.0 114.177 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -62.52 -30.43 79.68 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.532 2.822 . . . . 0.0 113.977 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -115.65 14.88 16.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.737 1.215 . . . . 0.0 113.915 -165.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.21 122.83 8.32 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.4 1.0 . . . . 0.0 112.45 -177.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.48 -7.78 77.57 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.436 1.493 . . . . 0.0 115.854 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.8 mt -80.83 151.79 71.24 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 119.682 1.741 . . . . 0.0 111.524 173.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -61.68 146.69 96.57 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.2 2.6 . . . . 0.0 112.274 170.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 t -80.12 -49.36 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 119.002 -0.523 . . . . 0.0 112.235 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.5 p -110.43 168.68 9.27 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.49 1.116 . . . . 0.0 113.543 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -55.32 -39.5 70.04 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.564 1.145 . . . . 0.0 112.021 169.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.3 m -67.2 -41.29 86.05 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.971 0.909 . . . . 0.0 112.024 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -60.94 -43.73 98.24 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.25 -0.907 . . . . 0.0 111.395 173.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.32 97.55 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.845 0.858 . . . . 0.0 112.42 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -59.43 -42.95 93.07 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.185 0.994 . . . . 0.0 111.991 172.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.9 t -74.75 -30.63 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.206 -0.934 . . . . 0.0 111.249 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -49.41 76.08 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.051 0.94 . . . . 0.0 111.987 169.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.62 -44.41 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 122.784 0.434 . . . . 0.0 110.104 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.75 -51.23 67.93 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -60.21 -45.45 93.13 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.398 -0.814 . . . . 0.0 112.646 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.43 -52.43 65.26 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.65 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -53.78 -44.2 69.88 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.477 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.7 -47.14 85.55 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 120.13 1.332 . . . . 0.0 112.012 174.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.46 -48.7 80.6 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.627 1.103 . . . . 0.0 111.755 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -62.16 -32.34 72.95 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.622 0.769 . . . . 0.0 111.681 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -75.34 -36.06 61.09 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.701 1.137 . . . . 0.0 112.035 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -69.67 -26.52 64.43 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.496 1.118 . . . . 0.0 111.851 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.0 p -87.38 -34.88 18.63 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 166.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -135.25 100.76 11.46 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 126.483 1.913 . . . . 0.0 111.218 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.26 -19.72 49.92 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.802 3.002 . . . . 0.0 116.45 -156.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.0 p90 -76.49 -4.47 42.79 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.456 1.902 . . . . 0.0 115.466 -174.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 120.21 7.98 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -164.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -85.18 138.38 32.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.493 1.517 . . . . 0.0 112.64 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -110.26 127.81 55.19 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.372 1.469 . . . . 0.0 111.362 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -138.91 122.82 17.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.634 1.574 . . . . 0.0 109.568 163.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -148.69 39.24 0.86 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.6 t -64.64 160.45 19.75 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.775 0.83 . . . . 0.0 111.317 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -59.92 -34.41 73.18 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.805 -1.185 . . . . 0.0 113.256 -171.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -64.96 -39.36 93.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.544 -0.722 . . . . 0.0 111.857 171.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.16 79.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.784 0.72 . . . . 0.0 111.967 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.7 mm -59.12 -54.1 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 118.956 0.798 . . . . 0.0 110.473 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -67.46 -30.21 69.86 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -75.37 -37.72 60.42 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.327 -0.858 . . . . 0.0 113.041 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -79.24 -37.38 38.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.043 0.937 . . . . 0.0 112.541 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.95 91.23 40.32 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 126.625 1.97 . . . . 0.0 110.263 -177.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.71 -15.53 30.18 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.522 2.148 . . . . 0.0 114.043 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -74.25 -11.58 60.32 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.56 -20.73 59.83 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.308 0.958 . . . . 0.0 112.838 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.363 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.411 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.534 0 CA-C-O 120.336 0.112 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.3 137.68 33.32 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.711 0.805 . . . . 0.0 110.602 168.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.4 mt -120.5 152.73 37.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.95 1.3 . . . . 0.0 110.728 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -69.11 135.12 50.25 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.937 -0.477 . . . . 0.0 110.092 167.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.19 -23.54 20.19 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -151.77 169.01 23.26 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.56 1.144 . . . . 0.0 112.359 -168.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.79 -143.05 30.67 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 124.621 1.105 . . . . 0.0 114.017 172.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.71 -31.63 78.79 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.487 2.792 . . . . 0.0 113.98 -171.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -115.87 16.31 16.24 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.793 1.237 . . . . 0.0 113.807 -165.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.98 122.17 7.11 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 119.32 0.964 . . . . 0.0 112.491 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.67 -7.15 80.74 Favored Glycine 0 CA--C 1.542 1.728 0 C-N-CA 125.529 1.538 . . . . 0.0 115.827 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.18 151.34 66.24 Favored Pre-proline 0 CA--C 1.547 0.842 0 CA-C-N 119.686 1.743 . . . . 0.0 111.62 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.35 147.83 93.29 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.249 2.633 . . . . 0.0 112.376 172.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.17 -50.67 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -108.1 169.32 8.7 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.597 1.159 . . . . 0.0 113.253 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -56.61 -37.62 70.93 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.099 -1.0 . . . . 0.0 111.761 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.3 m -67.38 -41.22 85.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.678 0.791 . . . . 0.0 111.968 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -61.2 -41.85 97.56 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.364 0.984 . . . . 0.0 111.5 173.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.37 -44.45 94.72 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.033 0.933 . . . . 0.0 112.445 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -56.47 -44.99 81.11 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.068 0.947 . . . . 0.0 111.511 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -73.49 -36.03 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.731 0.812 . . . . 0.0 110.779 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -50.77 72.2 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.63 0.65 . . . . 0.0 111.877 171.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.8 mt -57.48 -46.31 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.071 0.549 . . . . 0.0 110.134 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -64.23 -50.3 68.54 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -63.87 -43.21 96.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.437 0.695 . . . . 0.0 111.999 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.29 -44.79 95.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.837 0.455 . . . . 0.0 111.624 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 50.5 t90 -60.17 -44.33 95.12 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.094 -0.955 . . . . 0.0 112.097 172.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.4 -42.93 92.92 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 120.638 1.563 . . . . 0.0 112.343 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.42 -50.22 64.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.224 0.61 . . . . 0.0 111.736 174.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -63.68 -32.76 74.35 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.069 -1.02 . . . . 0.0 112.326 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -74.74 -32.02 61.98 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.569 1.947 . . . . 0.0 112.19 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.2 mtt85 -63.96 -38.34 90.71 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 118.787 0.721 . . . . 0.0 112.361 164.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.7 m -74.01 -36.52 64.47 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -140.64 98.57 7.1 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 126.573 1.949 . . . . 0.0 110.269 -168.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -72.71 -9.81 24.31 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 123.077 2.518 . . . . 0.0 115.302 -164.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.5 p90 -78.3 -2.58 38.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.541 1.536 . . . . 0.0 114.809 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.3 146.79 18.35 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.749 1.219 . . . . 0.0 113.873 -170.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.25 143.22 50.67 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.508 1.523 . . . . 0.0 111.364 170.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -111.31 126.41 54.88 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.109 1.364 . . . . 0.0 110.977 -167.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -129.27 97.68 4.66 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.299 1.04 . . . . 0.0 111.13 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -148.69 40.56 0.91 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.4 p -58.5 163.83 2.94 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.48 -0.763 . . . . 0.0 110.655 157.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.4 -34.74 69.2 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.652 -1.28 . . . . 0.0 111.766 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -66.04 -45.12 82.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.718 0.807 . . . . 0.0 111.161 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.72 94.89 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.151 0.887 . . . . 0.0 112.329 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.96 -49.67 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.017 0.927 . . . . 0.0 110.378 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -69.08 -30.82 69.22 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.931 1.242 . . . . 0.0 113.804 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -70.74 -44.12 67.46 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.23 0.923 . . . . 0.0 112.532 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -75.68 -38.09 59.01 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.328 1.051 . . . . 0.0 112.431 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -129.88 88.63 48.44 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 126.127 1.771 . . . . 0.0 110.455 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -69.84 -17.88 36.97 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.391 2.061 . . . . 0.0 113.588 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -68.72 -12.06 60.99 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -178.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.49 -10.64 59.7 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.069 0.85 . . . . 0.0 112.681 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.795 1.638 . . . . 0.0 112.045 170.042 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.83 141.45 28.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.673 1.189 . . . . 0.0 111.349 171.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 mt -122.03 153.96 37.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.101 1.361 . . . . 0.0 110.723 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -69.55 136.9 51.93 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.959 -0.463 . . . . 0.0 110.18 167.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.51 -23.44 19.1 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -174.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -151.79 168.7 24.25 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.434 1.094 . . . . 0.0 112.56 -167.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.14 -141.88 29.73 Favored Glycine 0 CA--C 1.542 1.74 0 C-N-CA 124.629 1.109 . . . . 0.0 114.07 172.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.84 -31.26 77.95 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.51 2.807 . . . . 0.0 113.885 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -116.43 15.78 15.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.714 1.206 . . . . 0.0 113.917 -165.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.4 122.27 7.62 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.344 0.975 . . . . 0.0 112.451 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.26 -6.06 82.72 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.424 1.487 . . . . 0.0 115.846 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.1 mt -82.88 151.06 63.37 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 119.659 1.729 . . . . 0.0 111.733 174.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -63.64 149.39 91.02 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.538 2.825 . . . . 0.0 112.511 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.6 t -85.69 -48.05 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -109.28 170.07 8.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.837 1.255 . . . . 0.0 113.341 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -55.84 -40.09 72.34 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.164 -0.96 . . . . 0.0 111.499 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -70.07 -36.46 74.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.333 0.653 . . . . 0.0 112.743 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -61.14 -43.84 98.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.607 1.094 . . . . 0.0 111.172 170.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.16 94.14 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.093 0.957 . . . . 0.0 112.446 176.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -58.93 -44.61 91.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.341 1.056 . . . . 0.0 111.712 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.8 t -73.51 -33.76 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.642 -0.661 . . . . 0.0 110.847 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -50.94 72.13 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.936 0.789 . . . . 0.0 111.809 169.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.94 -46.97 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.029 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -62.12 -51.46 67.82 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -62.52 -43.61 98.4 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.317 0.647 . . . . 0.0 112.489 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.57 -44.69 93.37 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 122.075 -0.391 . . . . 0.0 111.793 175.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -59.26 -46.98 87.07 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.052 0.941 . . . . 0.0 111.986 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -61.48 -45.94 92.11 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.926 1.239 . . . . 0.0 111.869 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -49.47 77.33 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.193 0.906 . . . . 0.0 112.312 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -64.6 -30.47 71.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.099 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.51 -39.24 77.69 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.246 1.384 . . . . 0.0 111.939 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.2 mmm-85 -63.15 -31.99 73.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.779 0.832 . . . . 0.0 111.241 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.0 m -77.0 -40.13 47.82 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 168.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -141.93 98.01 6.35 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 126.739 2.016 . . . . 0.0 110.777 -168.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.11 -9.43 25.54 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.493 2.795 . . . . 0.0 116.518 -158.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -81.87 -1.96 49.46 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.754 1.622 . . . . 0.0 115.063 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.94 123.49 16.71 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.362 1.065 . . . . 0.0 113.525 -166.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -86.37 141.22 29.35 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.348 1.059 . . . . 0.0 112.489 175.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -107.02 126.22 52.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.009 1.324 . . . . 0.0 111.727 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -136.73 95.23 3.1 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.747 1.619 . . . . 0.0 110.305 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -148.63 44.5 1.02 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.5 p -62.98 166.43 5.77 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.313 -0.867 . . . . 0.0 110.899 162.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.88 -34.31 69.65 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.867 -1.146 . . . . 0.0 111.802 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -62.24 -52.01 65.44 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.704 0.802 . . . . 0.0 111.302 171.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.51 87.4 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.862 0.755 . . . . 0.0 112.29 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.58 -50.87 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.316 1.046 . . . . 0.0 110.69 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -68.4 -28.57 67.21 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.225 1.375 . . . . 0.0 113.719 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -76.47 -39.88 51.94 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.017 0.927 . . . . 0.0 113.116 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -79.64 -36.67 37.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.51 1.124 . . . . 0.0 112.575 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -127.14 84.95 62.16 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.499 1.92 . . . . 0.0 110.314 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.55 -18.81 48.89 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.341 2.027 . . . . 0.0 113.686 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -68.34 -12.23 60.76 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.49 -11.29 60.71 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.212 0.914 . . . . 0.0 112.357 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.89 1.676 . . . . 0.0 111.757 166.435 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 111.31 0.115 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.66 144.2 27.25 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.216 1.006 . . . . 0.0 111.398 170.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 mt -122.23 154.53 37.4 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.012 1.325 . . . . 0.0 111.369 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -70.39 137.51 50.55 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.728 0.411 . . . . 0.0 110.078 165.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.74 -24.52 17.79 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -175.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -145.79 169.48 18.45 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.175 1.39 . . . . 0.0 112.853 -169.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.99 -145.36 34.94 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 124.24 0.924 . . . . 0.0 114.21 171.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.08 -30.9 83.27 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.552 2.834 . . . . 0.0 113.963 -172.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -114.58 15.43 17.73 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.79 1.236 . . . . 0.0 113.884 -165.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.33 122.49 7.9 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.35 0.977 . . . . 0.0 112.225 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.78 -5.38 83.94 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.334 1.445 . . . . 0.0 115.88 -176.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.95 150.86 62.72 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 119.561 1.68 . . . . 0.0 111.622 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.29 146.41 93.7 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.287 2.658 . . . . 0.0 112.05 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.8 t -80.55 -50.06 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.847 -0.533 . . . . 0.0 112.345 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.7 p -109.13 170.35 8.11 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.538 1.135 . . . . 0.0 113.324 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -59.75 -34.22 72.68 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.103 -0.998 . . . . 0.0 111.975 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.8 t -66.69 -42.82 85.88 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.512 0.725 . . . . 0.0 111.428 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.03 -42.78 99.12 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 120.903 -1.123 . . . . 0.0 111.681 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.72 97.11 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.733 0.813 . . . . 0.0 112.591 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -57.56 -45.64 84.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.001 1.321 . . . . 0.0 111.959 171.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.15 -34.64 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.765 0.826 . . . . 0.0 110.842 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.51 -49.75 74.13 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.904 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.9 mt -55.51 -47.73 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 118.8 0.727 . . . . 0.0 109.954 176.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -64.58 -53.69 43.8 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -63.44 -41.9 98.66 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.812 0.733 . . . . 0.0 112.337 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.4 -45.81 85.99 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.209 0.604 . . . . 0.0 111.469 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -57.15 -47.18 81.79 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.304 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.39 -43.01 99.84 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 120.563 1.528 . . . . 0.0 112.266 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.83 -48.91 78.44 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.135 -0.978 . . . . 0.0 111.494 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -64.01 -28.27 69.69 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.718 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -80.21 -32.75 38.49 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.691 1.996 . . . . 0.0 112.469 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -64.51 -35.84 82.25 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.993 0.917 . . . . 0.0 111.147 165.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t -73.6 -42.54 61.4 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 172.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -136.66 102.54 9.46 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.669 1.988 . . . . 0.0 110.685 -171.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.9 -10.48 28.56 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.208 2.605 . . . . 0.0 115.68 -163.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 p90 -84.12 -3.34 58.04 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.888 1.675 . . . . 0.0 115.076 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 124.96 22.01 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.9 0.88 . . . . 0.0 113.218 -167.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -85.44 142.34 29.32 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.084 1.354 . . . . 0.0 112.575 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -125.48 125.55 43.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.291 1.436 . . . . 0.0 110.943 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -140.57 133.8 29.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.558 1.543 . . . . 0.0 110.496 172.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -162.35 72.99 0.37 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.655 1.182 . . . . 0.0 112.13 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.4 p -73.87 170.48 15.27 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.357 0.663 . . . . 0.0 110.856 157.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -59.2 -38.16 79.21 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.867 -1.146 . . . . 0.0 111.561 169.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -62.28 -42.77 99.63 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.964 0.906 . . . . 0.0 111.569 174.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.53 90.69 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.487 0.585 . . . . 0.0 112.132 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.89 -45.68 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.173 0.897 . . . . 0.0 110.474 173.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.7 -30.95 70.59 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.694 1.134 . . . . 0.0 114.008 175.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -76.28 -38.0 56.76 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.0 -1.063 . . . . 0.0 113.083 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -79.8 -32.69 40.8 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.907 1.283 . . . . 0.0 112.487 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -135.85 95.66 13.72 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 126.338 1.855 . . . . 0.0 110.357 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.3 -14.43 25.49 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.601 2.201 . . . . 0.0 114.626 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -76.94 -11.55 59.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.36 -25.83 61.68 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.459 1.027 . . . . 0.0 112.848 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.333 0 C-N-CA 124.558 1.143 . . . . 0.0 112.5 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.555 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.39 143.62 26.24 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.83 1.252 . . . . 0.0 111.002 163.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mp -127.41 152.62 47.29 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.791 1.236 . . . . 0.0 111.07 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -71.52 133.26 45.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.917 0.487 . . . . 0.0 110.171 169.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.64 -20.67 19.37 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -150.37 168.17 24.91 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.791 1.236 . . . . 0.0 112.374 -168.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.53 -144.62 33.13 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 124.554 1.073 . . . . 0.0 114.062 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.88 -30.82 77.62 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.5 2.8 . . . . 0.0 114.059 -171.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -115.53 15.66 16.64 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.818 1.247 . . . . 0.0 113.879 -165.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.72 122.17 7.73 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.049 0.84 . . . . 0.0 112.195 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.82 2.52 84.19 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.929 1.252 . . . . 0.0 115.888 -176.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 mt -92.39 153.31 42.79 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 119.475 1.637 . . . . 0.0 112.004 172.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -60.66 150.82 80.26 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.181 2.587 . . . . 0.0 111.853 167.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.45 -48.92 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 118.628 0.649 . . . . 0.0 112.274 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -111.32 169.54 8.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.824 1.25 . . . . 0.0 113.779 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -55.0 -41.0 70.73 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.914 0.886 . . . . 0.0 111.612 169.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.1 m -66.23 -40.94 90.62 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.755 0.822 . . . . 0.0 111.99 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -61.08 -44.62 97.09 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.151 0.887 . . . . 0.0 111.46 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.79 98.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.653 0.781 . . . . 0.0 112.071 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.4 ttm-85 -61.94 -42.74 99.46 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.188 0.995 . . . . 0.0 112.056 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.3 t -66.28 -42.98 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.252 1.021 . . . . 0.0 110.41 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.78 -46.59 84.52 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 118.87 -0.586 . . . . 0.0 111.7 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.8 mt -56.69 -48.13 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 118.369 0.531 . . . . 0.0 110.153 173.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.59 -53.04 57.95 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.23 -42.34 98.45 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.519 -0.738 . . . . 0.0 112.617 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.57 -42.43 82.6 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.922 -0.486 . . . . 0.0 111.858 178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -58.71 -47.99 82.66 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.56 0.744 . . . . 0.0 112.016 170.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -39.76 92.51 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.7 1.2 . . . . 0.0 112.43 -178.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -71.25 -43.94 66.25 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.269 -0.895 . . . . 0.0 112.393 175.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -61.19 -31.16 70.92 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.796 171.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -71.63 -36.49 70.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.143 1.377 . . . . 0.0 112.369 175.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 45.0 mtm105 -62.33 -33.69 75.18 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.521 0.6 . . . . 0.0 111.899 168.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 m -76.91 -39.37 51.1 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -144.04 100.36 4.97 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 127.013 2.125 . . . . 0.0 110.386 -167.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.52 -10.61 27.09 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.385 2.723 . . . . 0.0 116.278 -159.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -82.88 -0.25 47.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.914 1.686 . . . . 0.0 115.194 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 126.24 26.75 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -165.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -87.05 143.03 27.5 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.329 1.451 . . . . 0.0 112.339 175.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -117.37 129.51 55.91 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.002 1.321 . . . . 0.0 111.395 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -136.92 104.48 5.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.403 1.481 . . . . 0.0 110.591 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -149.03 34.84 0.74 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.6 m -58.81 152.37 19.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.239 0.616 . . . . 0.0 109.674 157.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.35 -33.28 74.4 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.405 -1.435 . . . . 0.0 112.796 -173.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.18 -41.7 93.46 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.367 -0.833 . . . . 0.0 111.906 170.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.76 84.82 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.327 0.651 . . . . 0.0 111.915 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.62 -47.62 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.658 0.783 . . . . 0.0 110.271 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -67.04 -30.63 70.76 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -77.18 -37.62 53.28 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.125 -0.985 . . . . 0.0 113.345 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -77.44 -34.97 54.45 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.348 1.059 . . . . 0.0 112.517 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -135.9 89.0 21.72 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 126.462 1.905 . . . . 0.0 110.297 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.8 -17.33 37.43 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.457 2.105 . . . . 0.0 114.003 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -69.94 -11.28 60.75 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.52 -9.18 57.8 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.195 0.907 . . . . 0.0 112.86 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.605 1.562 . . . . 0.0 111.948 168.499 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.53 0 CA-C-O 120.481 0.181 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.79 141.99 30.99 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.9 0.88 . . . . 0.0 111.03 172.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.7 mt -122.13 154.55 37.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.985 1.314 . . . . 0.0 111.023 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.69 135.27 48.19 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.948 -0.47 . . . . 0.0 109.865 164.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 -23.52 20.65 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.65 168.28 25.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.687 1.195 . . . . 0.0 112.445 -168.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.34 -142.21 29.98 Favored Glycine 0 CA--C 1.543 1.796 0 C-N-CA 124.639 1.114 . . . . 0.0 114.091 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.08 -31.9 83.54 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.515 2.81 . . . . 0.0 113.994 -171.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.73 16.22 16.38 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.717 1.207 . . . . 0.0 113.769 -166.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.77 121.97 7.45 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.202 0.91 . . . . 0.0 112.445 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.89 -5.41 83.98 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 125.313 1.435 . . . . 0.0 115.811 -176.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.1 mt -82.17 149.66 62.81 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 119.611 1.706 . . . . 0.0 111.7 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -63.93 147.22 92.05 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.477 2.785 . . . . 0.0 112.273 173.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.9 t -82.35 -48.75 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 112.476 0.546 . . . . 0.0 112.476 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -109.32 169.21 8.84 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.636 1.174 . . . . 0.0 113.677 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -55.21 -40.47 70.82 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.031 0.932 . . . . 0.0 111.822 169.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.2 m -67.16 -40.14 86.61 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 118.517 -0.754 . . . . 0.0 112.427 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -60.45 -43.19 97.11 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.108 1.322 . . . . 0.0 111.279 173.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.71 93.62 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.765 0.826 . . . . 0.0 112.566 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.8 ttp-105 -59.99 -43.57 95.07 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.992 0.917 . . . . 0.0 111.961 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.6 t -71.29 -35.04 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.11 0.964 . . . . 0.0 110.681 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.7 -51.91 66.48 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.757 0.708 . . . . 0.0 111.708 170.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.4 mt -55.61 -46.84 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.247 0.476 . . . . 0.0 109.966 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.98 -55.07 21.24 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -63.56 -41.64 98.4 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.151 0.887 . . . . 0.0 112.425 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -62.23 -49.12 77.0 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.817 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -55.04 -45.04 75.19 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 117.953 -1.022 . . . . 0.0 111.808 172.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.38 -44.05 97.82 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 120.486 1.494 . . . . 0.0 111.559 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.27 -47.99 80.07 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.468 -0.77 . . . . 0.0 112.175 172.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -63.58 -29.63 70.86 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.587 0.755 . . . . 0.0 111.948 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -76.86 -33.11 57.88 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.187 2.195 . . . . 0.0 111.441 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.1 ttt-85 -64.26 -39.94 94.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.438 1.095 . . . . 0.0 112.33 168.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.6 p -83.08 -33.14 26.46 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -134.45 100.77 12.39 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.569 1.948 . . . . 0.0 110.576 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.89 -10.27 27.32 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 123.322 2.681 . . . . 0.0 115.794 -161.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -82.77 -4.07 57.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.548 1.539 . . . . 0.0 114.862 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 119.38 8.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.004 0.82 . . . . 0.0 112.887 -167.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -86.59 138.8 31.4 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.127 0.971 . . . . 0.0 112.278 175.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.27 125.5 53.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.6 1.56 . . . . 0.0 110.613 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -140.44 124.39 17.39 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.247 1.419 . . . . 0.0 108.726 169.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -154.85 55.66 0.67 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.4 p -59.27 164.5 3.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.455 0.702 . . . . 0.0 112.298 162.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.98 -36.3 70.18 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.109 -0.994 . . . . 0.0 111.779 168.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -61.45 -45.94 92.16 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.296 0.638 . . . . 0.0 110.919 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.83 95.58 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.811 0.732 . . . . 0.0 112.175 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.0 mt -62.15 -49.0 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.218 1.007 . . . . 0.0 110.576 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -66.68 -34.91 78.92 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.778 1.172 . . . . 0.0 113.581 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -72.21 -37.73 69.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.918 0.887 . . . . 0.0 112.732 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -79.24 -38.12 36.39 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.097 0.959 . . . . 0.0 112.462 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -128.84 91.66 42.35 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 126.281 1.832 . . . . 0.0 110.529 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -69.77 -18.55 36.88 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 122.537 2.158 . . . . 0.0 113.967 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -71.04 -10.82 60.41 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.91 -10.91 60.13 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.129 0.877 . . . . 0.0 112.708 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.343 1.457 . . . . 0.0 112.041 170.305 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 120.356 0.122 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.87 140.26 29.83 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.886 0.874 . . . . 0.0 110.872 168.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.9 mt -121.99 152.38 39.79 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.814 1.246 . . . . 0.0 110.924 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -68.58 138.35 55.02 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.853 -0.53 . . . . 0.0 110.307 168.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.54 -24.68 17.15 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -146.03 169.44 18.65 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.01 1.324 . . . . 0.0 112.845 -168.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.39 -144.09 33.85 Favored Glycine 0 CA--C 1.542 1.774 0 C-N-CA 124.178 0.894 . . . . 0.0 114.165 171.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.74 -30.1 77.87 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.515 2.81 . . . . 0.0 113.901 -172.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.46 14.62 16.7 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.655 1.182 . . . . 0.0 113.9 -164.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.56 122.69 8.43 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 119.518 1.053 . . . . 0.0 112.4 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.33 -6.71 81.24 Favored Glycine 0 CA--C 1.541 1.656 0 C-N-CA 125.405 1.478 . . . . 0.0 115.858 -175.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.4 mt -81.6 151.17 67.97 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 119.61 1.705 . . . . 0.0 111.566 173.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -62.92 145.97 94.69 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.269 2.646 . . . . 0.0 112.345 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.5 t -81.65 -52.37 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 119.175 -0.44 . . . . 0.0 112.131 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 p -104.13 169.73 8.32 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.474 1.109 . . . . 0.0 113.305 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.23 -35.63 80.98 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.1 -1.0 . . . . 0.0 111.436 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -66.45 -41.3 89.32 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.456 169.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -59.52 -40.95 88.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 120.17 1.35 . . . . 0.0 111.507 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.89 88.56 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.962 0.905 . . . . 0.0 112.579 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.0 ttp-105 -60.02 -41.29 91.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.986 0.914 . . . . 0.0 112.147 173.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.01 -37.31 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.446 1.098 . . . . 0.0 110.365 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.77 -50.3 74.36 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.605 0.639 . . . . 0.0 111.542 171.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.477 HG21 ' HB3' ' A' ' 101' ' ' MET . 65.2 mt -55.98 -49.28 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.131 0.572 . . . . 0.0 110.308 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.87 -51.66 63.6 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -60.82 -44.71 96.54 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.464 0.706 . . . . 0.0 112.516 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.82 -45.63 93.02 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.859 0.464 . . . . 0.0 111.899 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 48.9 t90 -58.96 -48.01 83.05 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.443 0.697 . . . . 0.0 111.823 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -70.34 -34.1 72.26 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.978 1.263 . . . . 0.0 112.859 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.42 -49.72 65.83 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.596 -1.315 . . . . 0.0 111.197 171.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -66.85 -23.25 66.0 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.909 -1.043 . . . . 0.0 112.347 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -70.76 -38.8 73.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.236 1.38 . . . . 0.0 112.011 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -60.08 -37.16 79.09 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 118.751 0.705 . . . . 0.0 111.771 167.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.4 m -71.51 -41.32 69.37 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -145.01 104.06 4.44 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 127.055 2.142 . . . . 0.0 110.36 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.78 -9.86 25.52 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 123.235 2.623 . . . . 0.0 116.109 -160.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.1 p90 -85.99 4.63 36.95 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.123 1.769 . . . . 0.0 115.193 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 126.13 26.31 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.069 0.948 . . . . 0.0 113.441 -165.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.71 147.8 31.79 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.793 1.637 . . . . 0.0 112.227 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -125.01 126.93 46.2 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.558 1.143 . . . . 0.0 111.814 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -137.23 109.83 7.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.454 1.502 . . . . 0.0 110.222 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.477 ' HB3' HG21 ' A' ' 83' ' ' ILE . 26.2 ptt? -148.16 29.55 0.88 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -177.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.8 m -66.09 160.48 23.82 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.605 -0.684 . . . . 0.0 110.5 166.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -53.17 -41.08 64.84 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.062 -1.024 . . . . 0.0 113.256 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -33.93 74.92 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.335 -0.853 . . . . 0.0 112.514 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.64 81.61 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.612 0.642 . . . . 0.0 111.6 172.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.22 -49.0 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.819 0.848 . . . . 0.0 110.145 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -66.62 -34.74 78.54 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -73.4 -36.48 66.02 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -44.13 31.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.187 0.995 . . . . 0.0 111.028 174.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -125.81 89.61 52.07 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 126.063 1.745 . . . . 0.0 110.841 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.77 -16.81 33.29 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.476 2.117 . . . . 0.0 113.904 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -68.92 -10.76 58.92 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.8 -3.47 28.83 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.123 0.969 . . . . 0.0 112.976 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.944 1.698 . . . . 0.0 111.741 167.488 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 120.411 0.148 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.68 144.01 28.06 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.153 0.981 . . . . 0.0 111.659 175.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.2 mt -121.65 154.57 36.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.285 1.434 . . . . 0.0 110.632 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -69.92 135.62 49.69 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.804 -0.56 . . . . 0.0 109.796 164.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.7 -23.78 20.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -174.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.73 168.5 24.85 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.566 1.146 . . . . 0.0 112.53 -168.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.26 -141.72 29.36 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.372 0.986 . . . . 0.0 114.17 173.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -62.89 -31.9 77.28 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.366 2.71 . . . . 0.0 113.742 -171.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -115.59 16.37 16.52 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -166.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.36 121.68 6.67 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.102 0.865 . . . . 0.0 112.463 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.86 -4.07 86.33 Favored Glycine 0 CA--C 1.542 1.738 0 C-N-CA 125.121 1.343 . . . . 0.0 116.083 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.4 mt -84.59 150.04 55.75 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 119.541 1.671 . . . . 0.0 111.572 173.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -62.78 148.39 93.47 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.457 2.771 . . . . 0.0 112.552 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.1 t -84.75 -48.7 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.403 -177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -109.37 169.17 8.87 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.846 1.259 . . . . 0.0 112.847 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -61.83 -35.96 79.77 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.879 -1.138 . . . . 0.0 111.508 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -65.07 -39.3 93.04 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.508 0.723 . . . . 0.0 111.899 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.14 -48.08 83.24 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.532 1.06 . . . . 0.0 110.968 172.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.43 -43.29 93.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.442 0.697 . . . . 0.0 112.66 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -60.83 -44.11 97.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.843 1.257 . . . . 0.0 112.279 174.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.0 t -71.58 -35.51 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.734 0.814 . . . . 0.0 110.907 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.68 -48.49 81.54 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.679 0.672 . . . . 0.0 111.355 170.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' A' ' 101' ' ' MET . 67.5 mt -56.67 -48.9 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.438 0.563 . . . . 0.0 110.305 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -62.57 -51.56 66.87 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -62.37 -45.13 94.55 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.274 0.629 . . . . 0.0 111.976 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.76 -44.94 94.89 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.878 -0.514 . . . . 0.0 111.831 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -58.26 -46.81 85.3 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.059 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -64.37 -44.15 92.27 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.801 1.182 . . . . 0.0 111.946 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -64.15 -47.51 79.61 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.299 -0.876 . . . . 0.0 111.934 174.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -65.99 -26.11 67.39 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 117.535 -1.221 . . . . 0.0 112.227 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.41 -36.2 71.26 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.825 1.648 . . . . 0.0 111.886 172.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -62.34 -35.41 79.02 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.783 0.719 . . . . 0.0 111.712 168.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.0 m -73.88 -39.67 63.74 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -143.56 96.74 5.63 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 127.008 2.123 . . . . 0.0 110.114 -167.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.15 -10.07 27.42 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.444 2.762 . . . . 0.0 116.122 -160.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 8.5 p90 -81.8 -0.64 44.21 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.821 1.648 . . . . 0.0 115.017 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.07 123.99 18.45 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.058 0.943 . . . . 0.0 113.509 -167.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -87.01 144.23 26.99 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.567 1.547 . . . . 0.0 112.128 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -119.39 125.25 48.54 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.471 1.109 . . . . 0.0 111.824 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.86 120.87 15.59 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.635 1.574 . . . . 0.0 109.896 168.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.426 ' HB3' HG21 ' A' ' 83' ' ' ILE . 27.1 ptt? -149.17 40.53 0.87 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.5 t -66.51 158.21 30.2 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.413 0.685 . . . . 0.0 111.282 168.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -53.96 -38.83 65.41 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.69 1.196 . . . . 0.0 112.111 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.87 -41.61 91.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.721 0.808 . . . . 0.0 112.178 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.06 87.98 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.492 0.717 . . . . 0.0 111.777 175.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.2 -46.5 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.504 1.122 . . . . 0.0 110.284 173.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -64.43 -39.41 93.78 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.912 1.233 . . . . 0.0 113.836 174.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.42 -37.9 80.72 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.668 0.787 . . . . 0.0 112.805 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 -80.55 -39.04 28.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.757 0.823 . . . . 0.0 112.548 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -128.74 88.09 52.98 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.242 1.817 . . . . 0.0 110.727 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.72 -17.94 42.28 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 122.473 2.115 . . . . 0.0 113.61 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -68.62 -12.45 61.35 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.64 -10.32 59.06 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.088 0.858 . . . . 0.0 112.609 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.811 1.645 . . . . 0.0 112.252 171.164 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.14 146.21 24.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.731 1.212 . . . . 0.0 111.42 169.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.0 mt -121.61 154.65 36.48 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.019 1.328 . . . . 0.0 111.447 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -71.02 136.35 48.31 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 122.702 0.401 . . . . 0.0 110.008 164.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.84 -25.4 18.12 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -176.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -145.9 170.06 17.35 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.192 1.397 . . . . 0.0 112.585 -169.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.36 -144.96 33.83 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 124.198 0.904 . . . . 0.0 114.14 171.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -62.46 -30.6 80.26 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.548 2.832 . . . . 0.0 113.944 -172.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.35 15.56 16.84 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.735 1.214 . . . . 0.0 113.882 -165.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.25 122.4 7.69 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 119.246 0.93 . . . . 0.0 112.325 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.17 -6.32 81.87 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.331 1.443 . . . . 0.0 115.895 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.8 mt -81.98 151.37 66.98 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 119.643 1.722 . . . . 0.0 111.559 172.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -62.16 147.73 94.51 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.276 2.651 . . . . 0.0 112.153 171.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.41 -49.12 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -111.34 167.58 10.19 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.415 1.086 . . . . 0.0 113.683 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -49.93 -43.12 49.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.659 1.183 . . . . 0.0 111.844 166.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.9 m -67.34 -40.65 85.87 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.674 0.79 . . . . 0.0 111.986 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.9 -45.1 95.94 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.997 0.817 . . . . 0.0 111.343 173.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.01 99.58 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.945 0.898 . . . . 0.0 112.292 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -61.64 -42.43 98.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.108 0.963 . . . . 0.0 112.306 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -72.39 -36.24 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.071 0.948 . . . . 0.0 111.097 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.91 -50.76 72.12 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.538 0.608 . . . . 0.0 111.252 170.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.407 HG21 ' HB3' ' A' ' 101' ' ' MET . 64.7 mt -55.27 -48.14 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 122.942 0.497 . . . . 0.0 110.207 176.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.32 -55.85 21.25 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -70.66 -33.36 70.86 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -175.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.64 -48.26 82.36 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.973 -0.455 . . . . 0.0 110.335 167.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -59.05 -39.11 81.04 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.943 -1.027 . . . . 0.0 113.256 173.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.76 -48.58 80.72 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.764 1.62 . . . . 0.0 111.531 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -64.62 -45.42 86.97 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.213 -0.929 . . . . 0.0 111.925 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -61.22 -37.5 83.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.084 0.954 . . . . 0.0 111.085 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.32 -39.92 85.9 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.593 1.557 . . . . 0.0 112.015 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.8 -33.38 74.01 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.582 0.628 . . . . 0.0 112.073 172.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.4 m -78.36 -37.39 44.41 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 170.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -142.58 94.83 6.6 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 127.0 2.12 . . . . 0.0 110.149 -167.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.05 -9.02 24.83 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.365 2.71 . . . . 0.0 116.175 -160.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -81.69 -2.48 50.62 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.731 1.612 . . . . 0.0 114.987 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 124.58 20.61 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.504 1.121 . . . . 0.0 113.73 -165.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -96.12 149.03 22.07 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.054 1.341 . . . . 0.0 112.556 173.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -122.55 120.86 35.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.073 1.349 . . . . 0.0 111.576 -165.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.3 99.38 6.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.453 1.501 . . . . 0.0 109.811 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.407 ' HB3' HG21 ' A' ' 83' ' ' ILE . 21.6 ptt? -139.37 33.03 2.08 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.8 t -63.23 159.82 16.96 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.92 -0.488 . . . . 0.0 111.014 163.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -53.74 -42.72 68.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.54 1.136 . . . . 0.0 112.411 -175.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -63.86 -38.46 91.17 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.629 0.772 . . . . 0.0 111.453 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.54 -38.55 84.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.362 0.983 . . . . 0.0 112.184 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 60.0 mt -59.76 -52.47 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.976 0.807 . . . . 0.0 109.971 172.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -70.7 -28.6 64.88 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -78.17 -37.9 44.78 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.18 0.992 . . . . 0.0 112.875 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -75.67 -37.1 59.85 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.876 0.87 . . . . 0.0 112.062 174.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -131.67 92.04 32.1 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.719 1.608 . . . . 0.0 110.911 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.45 -18.19 29.79 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.512 2.142 . . . . 0.0 113.725 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -69.81 -11.5 60.91 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.15 -11.45 60.74 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.023 0.829 . . . . 0.0 112.687 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.522 1.529 . . . . 0.0 111.943 171.841 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 120.281 0.086 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.83 137.61 35.24 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.373 0.669 . . . . 0.0 110.702 171.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 mt -120.07 152.84 36.96 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.953 1.301 . . . . 0.0 110.795 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -69.93 133.84 47.74 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.886 -0.509 . . . . 0.0 110.002 167.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.84 -24.08 21.51 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -151.99 169.24 22.83 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.618 1.167 . . . . 0.0 112.392 -168.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.0 -142.46 29.61 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.586 1.088 . . . . 0.0 114.165 172.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -62.53 -31.49 80.18 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.539 2.826 . . . . 0.0 114.019 -171.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.4 16.3 15.69 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.811 1.245 . . . . 0.0 113.784 -165.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.04 122.12 7.09 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.248 0.931 . . . . 0.0 112.492 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.01 -7.58 79.9 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.525 1.536 . . . . 0.0 115.808 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.1 mt -81.53 150.39 66.73 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.683 1.742 . . . . 0.0 111.688 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -62.33 147.61 94.66 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.306 2.67 . . . . 0.0 112.43 170.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.22 -51.66 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.3 p -107.61 168.49 9.21 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.601 1.161 . . . . 0.0 113.284 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -55.98 -37.75 69.5 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.043 -1.036 . . . . 0.0 111.744 169.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.0 m -67.41 -41.48 84.81 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.869 0.868 . . . . 0.0 111.805 175.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -60.79 -43.78 97.68 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.347 -0.846 . . . . 0.0 111.426 172.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.21 -45.87 91.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.116 0.966 . . . . 0.0 112.249 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -59.65 -42.48 92.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.053 0.941 . . . . 0.0 112.002 173.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.1 t -71.97 -38.6 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.201 -0.937 . . . . 0.0 110.711 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -51.2 70.95 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.541 0.736 . . . . 0.0 111.777 172.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.408 HG21 ' HB3' ' A' ' 101' ' ' MET . 59.6 mt -59.82 -43.45 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.168 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -62.35 -52.83 62.07 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -61.28 -43.02 99.57 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.917 0.781 . . . . 0.0 112.699 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.07 -43.36 99.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.691 0.797 . . . . 0.0 111.819 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -64.24 -41.6 96.91 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.546 172.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.43 -45.41 93.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 120.671 1.578 . . . . 0.0 111.7 176.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.05 -47.75 83.3 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.268 -0.895 . . . . 0.0 111.686 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -68.36 -25.22 64.97 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.37 -0.831 . . . . 0.0 112.704 177.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -72.13 -39.51 68.76 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.052 1.296 . . . . 0.0 111.185 171.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -63.46 -33.49 75.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.223 173.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.3 p -84.23 -35.33 23.52 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 170.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -139.9 99.7 7.45 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 126.814 2.046 . . . . 0.0 111.237 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.39 -8.45 22.67 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 123.55 2.833 . . . . 0.0 116.434 -160.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -83.82 0.57 46.96 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.884 1.674 . . . . 0.0 115.139 -177.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 126.79 28.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.413 1.085 . . . . 0.0 113.848 -165.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.73 149.62 29.63 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.544 1.138 . . . . 0.0 112.843 171.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -119.14 100.02 7.08 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.203 1.001 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -116.52 76.33 1.02 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.862 1.265 . . . . 0.0 110.943 -172.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.408 ' HB3' HG21 ' A' ' 83' ' ' ILE . 23.8 ptt? -132.51 36.1 3.59 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -175.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.6 t -60.0 157.8 12.12 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.622 -0.674 . . . . 0.0 109.902 161.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -57.2 -35.43 69.61 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.46 -1.4 . . . . 0.0 113.009 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.35 -41.49 97.14 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.942 0.897 . . . . 0.0 112.189 172.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.75 75.42 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.788 0.835 . . . . 0.0 112.471 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.66 -48.11 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 118.871 0.759 . . . . 0.0 109.832 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -71.21 -32.71 69.14 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -72.48 -36.85 68.54 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.554 1.07 . . . . 0.0 112.819 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.9 ttm105 -78.43 -37.02 44.75 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.527 1.131 . . . . 0.0 112.393 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -134.91 86.76 31.77 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.778 2.031 . . . . 0.0 110.84 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -69.1 -17.76 40.43 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.507 2.138 . . . . 0.0 113.526 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -66.35 -13.67 60.94 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.52 -11.47 60.86 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.055 0.843 . . . . 0.0 113.028 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.117 1.767 . . . . 0.0 112.619 170.342 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 120.488 0.185 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.44 138.34 32.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.92 0.888 . . . . 0.0 111.016 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.8 mt -119.64 151.8 38.12 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.99 1.316 . . . . 0.0 110.644 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -68.82 134.95 50.39 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.93 -0.481 . . . . 0.0 110.157 168.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.2 -23.43 20.22 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.92 168.82 23.95 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.553 1.141 . . . . 0.0 112.387 -168.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.61 -143.17 31.04 Favored Glycine 0 CA--C 1.543 1.785 0 C-N-CA 124.511 1.053 . . . . 0.0 114.165 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.75 -30.75 78.46 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.566 2.844 . . . . 0.0 114.111 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -116.05 15.33 16.13 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.748 1.219 . . . . 0.0 113.893 -165.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.04 122.31 7.37 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.338 0.972 . . . . 0.0 112.487 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.25 -7.95 78.7 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.502 1.525 . . . . 0.0 115.838 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.4 mt -80.68 150.96 70.73 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 119.71 1.755 . . . . 0.0 111.579 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -61.39 146.56 97.06 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.197 2.598 . . . . 0.0 112.167 170.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.3 t -80.28 -51.85 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 118.997 -0.525 . . . . 0.0 112.341 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.5 p -108.15 168.62 9.16 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.324 1.05 . . . . 0.0 113.486 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -55.11 -37.31 66.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.282 1.033 . . . . 0.0 112.11 168.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -67.28 -44.04 80.29 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.716 0.806 . . . . 0.0 111.621 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.68 -42.24 92.47 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.072 -1.017 . . . . 0.0 111.719 174.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.23 94.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.265 1.026 . . . . 0.0 112.351 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -58.35 -44.31 88.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.094 0.958 . . . . 0.0 111.888 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.3 t -72.9 -35.82 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.563 0.745 . . . . 0.0 110.701 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -51.47 69.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.798 0.726 . . . . 0.0 111.836 171.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.21 -47.57 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -62.26 -54.98 32.96 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -71.25 -33.71 70.06 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.464 1.029 . . . . 0.0 113.545 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.9 -49.9 75.89 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.498 166.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -56.54 -42.4 78.42 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.379 174.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -55.4 -47.79 75.35 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 121.088 1.767 . . . . 0.0 111.094 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.77 -50.43 66.83 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.58 -0.7 . . . . 0.0 112.501 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -62.66 -32.12 73.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.171 0.988 . . . . 0.0 111.542 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -73.67 -34.98 65.16 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.977 1.711 . . . . 0.0 111.664 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -62.82 -38.91 92.63 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.82 0.848 . . . . 0.0 112.359 170.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.6 p -82.97 -33.04 26.73 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -134.85 100.85 11.86 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.426 1.89 . . . . 0.0 110.852 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.3 -10.55 27.31 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.31 2.673 . . . . 0.0 115.939 -160.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -82.68 -1.98 52.8 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.874 1.67 . . . . 0.0 114.93 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 120.29 9.97 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -164.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -82.43 135.8 35.07 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.766 1.226 . . . . 0.0 112.661 173.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -112.56 122.79 48.7 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.043 1.337 . . . . 0.0 110.994 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.56 123.9 21.96 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.93 1.292 . . . . 0.0 109.878 167.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -155.83 36.01 0.35 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.596 1.158 . . . . 0.0 113.415 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 t -57.34 155.21 9.39 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.731 -0.606 . . . . 0.0 109.931 161.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -59.86 -30.29 68.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.028 -1.045 . . . . 0.0 112.704 -171.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -63.18 -43.93 96.87 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.03 0.932 . . . . 0.0 111.585 171.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.04 84.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.399 0.68 . . . . 0.0 112.142 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.06 -53.56 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.617 0.767 . . . . 0.0 110.56 171.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -66.79 -32.09 73.15 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -74.74 -34.76 62.59 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -84.59 -32.55 23.71 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.953 0.901 . . . . 0.0 112.991 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -131.16 90.63 38.19 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 126.032 1.733 . . . . 0.0 110.248 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.53 -15.23 30.79 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.517 2.145 . . . . 0.0 114.0 -175.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -72.85 -12.36 60.95 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.94 -20.88 61.69 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.209 0.913 . . . . 0.0 113.088 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 125.831 1.652 . . . . 0.0 111.401 176.502 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 111.292 0.108 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.29 140.41 29.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.988 0.915 . . . . 0.0 111.158 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.9 mt -121.45 152.61 38.9 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.983 1.313 . . . . 0.0 111.152 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -69.38 136.31 51.5 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.013 0.525 . . . . 0.0 110.303 168.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.63 -25.75 18.15 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -146.42 170.08 17.57 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.219 1.408 . . . . 0.0 112.771 -169.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.8 -145.47 33.94 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.119 0.866 . . . . 0.0 114.21 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.16 -30.46 82.09 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.647 2.898 . . . . 0.0 113.93 -172.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -115.44 15.64 16.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.816 1.246 . . . . 0.0 113.824 -165.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.11 123.11 8.71 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.504 1.047 . . . . 0.0 112.482 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.31 -7.51 78.26 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 125.364 1.459 . . . . 0.0 115.857 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.7 mt -81.64 151.6 68.46 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 119.631 1.715 . . . . 0.0 111.811 174.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -62.33 146.66 95.74 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.308 2.672 . . . . 0.0 112.389 170.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.13 -53.89 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 119.06 -0.495 . . . . 0.0 112.228 -177.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 p -103.1 169.88 8.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.4 1.08 . . . . 0.0 113.354 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -61.05 -37.35 82.32 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.091 -1.006 . . . . 0.0 111.402 173.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 m -69.37 -36.98 77.36 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.776 171.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.73 -43.15 98.26 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.273 1.397 . . . . 0.0 111.267 171.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.85 -44.57 95.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.894 0.878 . . . . 0.0 112.422 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -57.47 -44.64 85.01 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.772 1.229 . . . . 0.0 112.014 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.39 -35.08 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.963 0.905 . . . . 0.0 110.822 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -52.19 66.58 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.738 0.699 . . . . 0.0 111.737 171.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' A' ' 101' ' ' MET . 72.8 mt -56.63 -47.21 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -60.49 -56.77 17.36 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -70.96 -33.97 70.97 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.423 1.01 . . . . 0.0 113.562 -174.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.34 -49.42 77.27 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.023 -0.423 . . . . 0.0 110.447 168.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -59.85 -40.75 89.6 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 117.411 -1.28 . . . . 0.0 112.818 173.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.05 -47.36 78.04 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.307 1.867 . . . . 0.0 111.01 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.06 -48.36 80.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.641 -0.662 . . . . 0.0 111.884 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -65.07 -33.63 76.5 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.435 -0.791 . . . . 0.0 111.839 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -76.36 -33.07 58.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.996 2.118 . . . . 0.0 112.46 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -66.4 -34.83 78.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.472 0.709 . . . . 0.0 111.847 166.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 t -74.2 -42.44 59.81 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 173.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -138.12 104.84 7.98 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.765 2.026 . . . . 0.0 110.442 -171.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.32 -11.16 28.27 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.147 2.564 . . . . 0.0 115.859 -161.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -83.44 -3.52 57.65 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.647 1.579 . . . . 0.0 114.935 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.24 123.16 16.36 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.881 0.872 . . . . 0.0 113.112 -167.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -91.68 146.43 23.78 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.507 1.123 . . . . 0.0 112.718 175.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -118.85 126.46 51.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.438 1.495 . . . . 0.0 110.72 -169.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -136.85 101.8 4.69 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.162 1.385 . . . . 0.0 110.369 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.412 ' HB3' HG21 ' A' ' 83' ' ' ILE . 23.1 ptt? -149.14 41.64 0.91 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -174.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.8 p -63.2 169.4 3.54 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.582 -0.699 . . . . 0.0 111.176 160.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -56.3 -34.03 66.11 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.003 -1.06 . . . . 0.0 112.116 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.48 -48.51 72.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.001 0.92 . . . . 0.0 110.549 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.23 -37.97 89.32 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.11 -48.36 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.197 0.999 . . . . 0.0 110.604 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -65.14 -33.83 76.94 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 120.189 1.359 . . . . 0.0 113.252 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -72.42 -38.44 68.36 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 118.943 0.792 . . . . 0.0 113.042 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -76.95 -36.52 56.47 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.236 1.014 . . . . 0.0 112.774 175.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -136.69 92.79 14.52 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.36 1.864 . . . . 0.0 110.625 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.28 -15.22 28.44 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.488 2.125 . . . . 0.0 114.159 -175.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -71.38 -11.89 61.13 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.05 -15.64 59.53 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 124.722 1.209 . . . . 0.0 111.094 177.629 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.54 138.75 31.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.885 0.874 . . . . 0.0 110.651 167.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.3 mt -121.33 153.18 38.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.008 1.323 . . . . 0.0 110.991 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -68.47 135.41 51.62 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.876 -0.515 . . . . 0.0 110.0 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 -22.91 20.85 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -177.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -151.3 172.05 16.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.651 1.18 . . . . 0.0 113.149 -168.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.47 -144.25 34.0 Favored Glycine 0 CA--C 1.542 1.735 0 CA-C-O 119.212 -0.771 . . . . 0.0 114.111 172.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -63.11 -30.89 75.78 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.369 2.712 . . . . 0.0 113.875 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -116.16 16.74 15.91 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.775 1.23 . . . . 0.0 113.977 -165.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.71 122.64 7.57 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 119.187 0.903 . . . . 0.0 112.433 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.18 -6.85 80.5 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.435 1.493 . . . . 0.0 115.814 -176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.61 151.82 65.62 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.729 1.764 . . . . 0.0 111.696 174.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -63.01 146.57 94.79 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.22 2.614 . . . . 0.0 112.223 171.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.6 -49.74 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -176.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.7 p -110.38 170.03 8.35 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.579 1.152 . . . . 0.0 113.19 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -54.99 -39.79 69.39 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.182 -0.949 . . . . 0.0 111.527 168.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.5 m -65.48 -42.92 91.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.784 0.833 . . . . 0.0 111.58 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -61.04 -42.07 97.79 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.134 -0.979 . . . . 0.0 111.707 173.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.06 99.71 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.848 0.859 . . . . 0.0 112.468 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.8 ttt-85 -58.32 -44.54 88.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.6 1.16 . . . . 0.0 111.627 171.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.6 t -72.11 -35.48 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.884 0.874 . . . . 0.0 110.756 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.57 -50.24 72.07 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.782 0.833 . . . . 0.0 112.062 172.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.6 mt -55.52 -45.73 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 122.828 0.451 . . . . 0.0 109.842 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -61.75 -53.33 57.51 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -60.95 -44.54 97.12 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.938 0.79 . . . . 0.0 112.763 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.6 -46.02 87.7 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.527 0.731 . . . . 0.0 111.657 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.1 t90 -56.71 -51.07 70.22 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.921 -1.038 . . . . 0.0 111.301 170.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.44 -40.97 96.41 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.355 1.434 . . . . 0.0 112.01 -174.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.06 -50.7 70.93 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.238 -0.914 . . . . 0.0 111.816 172.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -66.66 -25.79 66.74 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.231 -0.918 . . . . 0.0 112.71 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -80.22 -34.16 37.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 127.084 2.154 . . . . 0.0 112.192 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -65.03 -34.39 78.33 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.836 0.854 . . . . 0.0 111.393 166.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.5 t -73.22 -50.82 20.34 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.16 110.15 21.55 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 127.096 2.159 . . . . 0.0 111.085 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -71.47 -9.44 25.17 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 123.353 2.702 . . . . 0.0 116.053 -162.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -89.05 0.41 56.71 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.89 1.676 . . . . 0.0 115.274 -174.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 124.94 24.46 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.976 0.91 . . . . 0.0 113.115 -169.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -79.17 157.22 27.93 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.223 1.009 . . . . 0.0 112.342 171.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -126.09 117.17 22.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.092 1.357 . . . . 0.0 110.617 -174.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.42 92.56 3.69 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.74 1.616 . . . . 0.0 110.558 -174.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -143.82 40.6 1.4 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.9 p -62.63 164.28 7.87 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.905 -0.497 . . . . 0.0 110.901 159.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -57.35 -37.24 72.28 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.76 -1.213 . . . . 0.0 111.793 171.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.69 -48.64 79.88 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.459 1.104 . . . . 0.0 111.662 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.03 -41.04 97.69 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.506 0.593 . . . . 0.0 111.998 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.76 -50.97 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.806 0.842 . . . . 0.0 110.496 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -68.43 -25.98 65.29 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.79 1.177 . . . . 0.0 113.734 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -77.62 -42.12 36.09 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.082 0.953 . . . . 0.0 113.355 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -89.12 -25.88 21.63 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.723 1.209 . . . . 0.0 113.188 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -129.62 85.7 57.75 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 126.877 2.071 . . . . 0.0 109.974 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.78 -17.32 42.17 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.512 2.141 . . . . 0.0 113.996 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -68.83 -12.4 61.49 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.64 -10.2 59.41 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.132 0.878 . . . . 0.0 112.875 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.571 1.548 . . . . 0.0 112.177 169.596 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 120.298 0.094 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -141.24 145.07 35.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.502 1.521 . . . . 0.0 111.819 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.63 169.67 11.21 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.46 1.505 . . . . 0.0 116.036 172.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.8 p -157.3 156.74 32.94 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.053 1.741 . . . . 0.0 111.7 174.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -151.58 148.82 28.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.007 1.323 . . . . 0.0 112.141 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -142.19 126.14 17.22 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.052 1.341 . . . . 0.0 111.401 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -148.77 64.35 1.06 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.218 1.407 . . . . 0.0 112.638 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.28 60.06 1.47 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.548 1.139 . . . . 0.0 111.161 169.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -115.88 0.96 13.26 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.688 1.595 . . . . 0.0 113.946 -167.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -142.89 158.14 43.9 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.381 1.472 . . . . 0.0 111.382 -174.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.12 133.99 2.61 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.486 1.517 . . . . 0.0 112.437 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 p -150.89 102.05 2.95 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.072 0.949 . . . . 0.0 111.771 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.35 101.56 1.63 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.205 0.907 . . . . 0.0 111.784 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.32 -178.87 7.08 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.446 1.498 . . . . 0.0 111.76 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -89.33 141.24 28.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.201 1.0 . . . . 0.0 110.179 167.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.21 133.57 46.87 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.273 1.029 . . . . 0.0 110.853 172.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.23 137.95 35.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.244 0.618 . . . . 0.0 110.571 170.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.57 152.62 37.87 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.968 1.307 . . . . 0.0 110.779 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -69.71 137.18 51.84 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.874 -0.516 . . . . 0.0 110.1 167.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.95 -23.01 18.87 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -151.56 168.74 23.98 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.414 1.086 . . . . 0.0 112.501 -168.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.82 -142.02 30.27 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 124.635 1.112 . . . . 0.0 113.993 172.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.12 -30.75 75.6 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.47 2.78 . . . . 0.0 113.98 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -116.4 15.51 15.74 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.707 1.203 . . . . 0.0 113.913 -165.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.52 121.93 7.17 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.286 0.948 . . . . 0.0 112.372 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.66 -6.84 81.72 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 125.493 1.52 . . . . 0.0 115.911 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.1 mt -81.97 150.85 66.13 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 119.766 1.783 . . . . 0.0 111.602 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -62.59 148.91 92.68 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.406 2.737 . . . . 0.0 112.652 172.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.03 -49.78 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.7 p -107.7 168.66 9.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.591 1.156 . . . . 0.0 113.144 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -39.44 68.51 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 121.051 -1.031 . . . . 0.0 111.724 169.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.2 m -72.74 -35.32 67.48 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.3 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.12 -43.54 95.58 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.714 1.143 . . . . 0.0 111.13 168.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.33 98.85 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.919 0.888 . . . . 0.0 112.56 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.4 ttp-105 -58.38 -44.7 89.01 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.691 0.796 . . . . 0.0 111.8 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.38 -36.7 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.581 0.752 . . . . 0.0 110.389 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -51.19 70.51 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.529 0.732 . . . . 0.0 111.996 171.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -57.26 -45.17 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.193 0.597 . . . . 0.0 110.169 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -65.15 -52.28 56.05 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -61.59 -42.51 98.96 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.206 0.912 . . . . 0.0 112.864 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.92 -43.96 97.77 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.827 -0.546 . . . . 0.0 111.468 174.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -62.01 -43.16 99.42 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.245 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.39 -46.38 86.5 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.426 1.921 . . . . 0.0 111.47 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.8 -50.42 71.08 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.54 -0.725 . . . . 0.0 111.846 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.55 -30.61 71.64 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.31 -0.869 . . . . 0.0 112.628 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -74.23 -34.17 63.59 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.51 1.924 . . . . 0.0 112.075 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.35 -33.97 76.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.452 0.701 . . . . 0.0 111.743 168.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.6 m -76.18 -37.18 58.19 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -140.09 98.77 7.5 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 126.571 1.948 . . . . 0.0 110.318 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.57 -13.4 37.22 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.1 2.533 . . . . 0.0 115.483 -162.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 10.4 p90 -79.25 -11.09 59.95 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.413 1.485 . . . . 0.0 114.912 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.81 124.9 13.63 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.304 1.042 . . . . 0.0 113.167 -165.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -93.36 139.2 30.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.436 1.095 . . . . 0.0 111.981 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -112.29 127.09 55.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.413 1.485 . . . . 0.0 110.265 -174.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -142.29 103.45 4.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.788 1.235 . . . . 0.0 109.953 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -148.81 46.79 1.02 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.9 p -59.9 165.33 3.27 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.336 0.655 . . . . 0.0 112.191 163.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.09 -43.97 70.82 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.282 -0.886 . . . . 0.0 111.101 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -49.15 78.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.17 0.988 . . . . 0.0 111.255 174.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.88 -36.93 85.55 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.598 0.635 . . . . 0.0 112.688 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 68.2 mt -65.37 -48.14 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.375 -0.821 . . . . 0.0 110.53 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -68.87 -25.48 64.65 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.925 1.239 . . . . 0.0 114.034 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -79.22 -43.24 24.21 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.247 1.019 . . . . 0.0 113.006 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -70.96 -41.08 71.53 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.462 1.105 . . . . 0.0 111.884 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -127.37 87.41 56.35 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 126.164 1.786 . . . . 0.0 110.269 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -69.92 -13.45 34.29 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.497 2.132 . . . . 0.0 114.086 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -73.74 -13.79 61.02 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.28 -20.78 63.01 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.518 1.054 . . . . 0.0 113.033 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.34 1.856 . . . . 0.0 111.876 -177.873 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 119.499 -0.286 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -150.01 154.63 38.52 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.772 1.229 . . . . 0.0 113.057 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.66 165.8 11.47 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 125.068 1.318 . . . . 0.0 114.863 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.4 p -155.17 -68.94 0.12 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.341 1.056 . . . . 0.0 112.447 174.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -142.24 160.63 39.87 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.03 1.332 . . . . 0.0 113.04 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -152.1 147.48 26.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.162 1.785 . . . . 0.0 111.58 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -151.48 160.64 43.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.471 1.108 . . . . 0.0 111.973 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -61.36 -43.64 98.52 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.238 1.415 . . . . 0.0 112.975 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.6 t60 60.59 4.59 0.75 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 117.532 2.419 . . . . 0.0 117.532 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 t60 60.58 158.81 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.726 2.411 . . . . 0.0 115.975 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.93 171.18 43.28 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.885 1.231 . . . . 0.0 114.09 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 t -150.67 156.46 41.37 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.55 1.54 . . . . 0.0 110.754 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.32 111.54 4.23 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.825 0.726 . . . . 0.0 111.788 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.96 168.02 25.83 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.325 1.45 . . . . 0.0 111.662 -174.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mp -79.58 148.94 31.54 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.39 0.676 . . . . 0.0 110.978 172.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.87 136.01 53.41 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.041 1.336 . . . . 0.0 110.222 171.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.72 143.61 29.91 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.506 0.722 . . . . 0.0 111.519 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.3 mt -120.18 153.81 35.71 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.043 1.337 . . . . 0.0 110.9 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -70.75 132.58 45.57 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 164.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.0 -23.54 22.59 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -175.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -151.64 169.03 23.14 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.831 1.253 . . . . 0.0 112.287 -168.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.53 -143.88 30.93 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.496 1.046 . . . . 0.0 114.14 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.35 -31.63 81.48 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.553 2.835 . . . . 0.0 114.05 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.61 16.88 16.46 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.832 1.253 . . . . 0.0 113.774 -166.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.15 121.75 6.61 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.155 0.888 . . . . 0.0 112.445 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.76 -6.3 83.11 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 125.463 1.506 . . . . 0.0 115.837 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.5 mt -82.68 151.21 64.34 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 119.733 1.766 . . . . 0.0 111.559 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -61.22 148.67 92.25 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.22 2.613 . . . . 0.0 112.37 170.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.12 -45.67 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 118.998 -0.525 . . . . 0.0 112.353 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 p -114.52 169.31 9.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.63 1.172 . . . . 0.0 113.878 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -59.91 -37.92 80.82 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.379 1.072 . . . . 0.0 111.735 171.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 p -70.15 -38.3 75.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.758 0.823 . . . . 0.0 112.556 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -58.82 -46.91 86.55 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.976 1.262 . . . . 0.0 111.032 170.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.69 -44.14 93.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.802 0.841 . . . . 0.0 112.663 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -63.9 -40.66 97.02 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.355 -0.841 . . . . 0.0 112.609 174.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.44 -36.05 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 121.371 -0.83 . . . . 0.0 110.827 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.09 -49.45 77.25 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.641 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.96 -43.46 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 119.19 0.904 . . . . 0.0 110.383 176.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.33 -51.99 65.42 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -60.34 -44.93 95.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.802 0.841 . . . . 0.0 112.364 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -62.26 -46.88 86.85 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.596 0.758 . . . . 0.0 111.435 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -60.03 -41.9 93.23 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 123.59 0.756 . . . . 0.0 112.197 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.97 -42.48 99.18 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.126 1.33 . . . . 0.0 112.647 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -68.55 -46.92 68.2 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.486 -0.759 . . . . 0.0 111.771 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -60.75 -36.21 78.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.832 0.853 . . . . 0.0 111.452 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.34 -40.83 85.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.827 1.651 . . . . 0.0 112.082 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -61.65 -33.37 73.84 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.523 0.601 . . . . 0.0 112.582 172.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.4 m -76.07 -41.89 49.12 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 170.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.6 99.32 6.32 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 127.066 2.146 . . . . 0.0 110.174 -167.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.82 -8.34 22.2 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.419 2.746 . . . . 0.0 115.946 -160.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -81.16 2.09 29.08 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.913 1.685 . . . . 0.0 114.943 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 122.75 17.84 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.21 1.004 . . . . 0.0 113.49 -166.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -87.27 145.95 26.15 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.771 1.228 . . . . 0.0 112.342 172.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.86 123.76 43.34 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.002 1.321 . . . . 0.0 111.174 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -140.24 129.66 24.02 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.556 1.143 . . . . 0.0 110.452 166.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -159.45 40.35 0.21 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.637 1.175 . . . . 0.0 113.235 -174.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.8 p -62.09 164.55 6.61 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.302 1.041 . . . . 0.0 112.299 167.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -57.16 -32.93 66.91 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.014 -1.054 . . . . 0.0 112.029 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -51.13 70.52 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.622 0.769 . . . . 0.0 110.803 169.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.6 91.29 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.995 0.816 . . . . 0.0 112.739 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.93 -51.49 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 118.951 0.796 . . . . 0.0 110.748 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -70.58 -26.15 63.4 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.088 1.313 . . . . 0.0 113.883 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -72.32 -45.0 61.85 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.242 1.017 . . . . 0.0 112.559 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -84.11 -30.93 25.56 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.98 0.912 . . . . 0.0 113.402 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -131.53 84.38 55.79 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.661 1.984 . . . . 0.0 110.223 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -69.43 -14.17 36.7 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.519 2.146 . . . . 0.0 114.058 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -72.4 -13.65 61.51 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.71 -23.33 60.84 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.339 0.972 . . . . 0.0 113.227 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.743 1.617 . . . . 0.0 112.324 -178.074 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.0 mmm . . . . . 0 N--CA 1.5 2.037 0 N-CA-C 111.263 0.097 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -100.11 -19.96 16.22 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.46 171.99 30.91 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 124.327 0.965 . . . . 0.0 113.643 -171.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.7 p -155.51 159.49 39.79 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -174.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -142.43 115.86 9.04 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.333 1.453 . . . . 0.0 110.372 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -154.1 2.65 0.24 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.355 1.462 . . . . 0.0 112.916 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -77.85 -55.48 5.28 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.945 0.898 . . . . 0.0 113.242 -151.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -164.94 160.77 19.52 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.473 1.509 . . . . 0.0 111.838 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -153.1 119.76 5.65 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.035 0.934 . . . . 0.0 110.477 157.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -150.76 157.59 43.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.959 1.304 . . . . 0.0 111.586 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.76 -170.76 39.99 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.383 0.992 . . . . 0.0 113.349 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.9 t -140.41 133.07 28.84 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.128 1.371 . . . . 0.0 110.474 172.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.93 -161.05 37.33 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 123.818 0.723 . . . . 0.0 113.53 -170.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.73 22.29 6.89 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.057 1.343 . . . . 0.0 113.176 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -79.42 134.42 36.56 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.32 1.048 . . . . 0.0 111.56 -175.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.74 132.38 32.71 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.242 1.417 . . . . 0.0 110.011 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.39 144.3 28.89 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.826 0.85 . . . . 0.0 111.667 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.2 mt -121.49 154.91 35.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.079 1.351 . . . . 0.0 110.968 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -70.69 136.55 49.11 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.915 -0.491 . . . . 0.0 109.913 164.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.9 -22.12 20.23 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.87 171.34 17.38 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.775 1.23 . . . . 0.0 113.197 -168.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.33 -142.74 33.21 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.051 0.834 . . . . 0.0 113.918 172.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.18 -30.88 75.05 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.5 2.8 . . . . 0.0 113.993 -172.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.05 16.26 16.05 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.688 1.195 . . . . 0.0 113.875 -164.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.38 121.65 6.64 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.152 0.887 . . . . 0.0 112.327 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.01 -4.15 86.26 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.126 1.346 . . . . 0.0 115.899 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.7 mt -84.62 150.37 56.41 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 119.648 1.724 . . . . 0.0 111.63 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -62.29 148.76 92.68 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.473 2.782 . . . . 0.0 112.654 172.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.1 t -83.89 -47.93 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 p -110.94 169.03 9.04 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.745 1.218 . . . . 0.0 113.451 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.9 mtm105 -58.42 -37.39 75.26 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.224 -0.923 . . . . 0.0 111.826 169.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -66.8 -39.58 87.79 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.506 0.723 . . . . 0.0 112.129 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -61.26 -47.27 86.79 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.205 0.911 . . . . 0.0 110.902 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.66 92.26 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.73 0.812 . . . . 0.0 112.562 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -61.06 -45.42 94.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.478 1.111 . . . . 0.0 112.52 174.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.08 -34.4 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 118.621 0.646 . . . . 0.0 110.874 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.43 -51.65 68.59 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 118.732 -0.651 . . . . 0.0 111.34 170.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' A' ' 101' ' ' MET . 68.8 mt -55.94 -47.19 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 118.575 0.625 . . . . 0.0 110.107 177.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -62.42 -56.78 14.94 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -71.28 -31.8 67.9 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.26 -50.72 72.52 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.769 -0.582 . . . . 0.0 110.318 167.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 48.4 t90 -57.37 -40.15 77.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.302 -0.856 . . . . 0.0 112.725 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.35 -46.91 85.38 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.303 1.41 . . . . 0.0 112.028 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -64.72 -46.17 83.45 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.44 -0.788 . . . . 0.0 111.351 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -62.42 -36.07 81.22 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.64 0.776 . . . . 0.0 110.972 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -69.99 -39.18 76.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.837 1.655 . . . . 0.0 112.49 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -63.82 -30.71 71.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.998 0.519 . . . . 0.0 112.184 171.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.8 t -77.1 -43.14 35.3 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 170.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -140.65 101.64 6.57 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 127.095 2.158 . . . . 0.0 110.52 -169.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.03 -9.36 24.47 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.42 2.747 . . . . 0.0 116.386 -159.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -84.46 3.55 35.75 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.049 1.739 . . . . 0.0 115.061 -176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 125.85 26.12 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -166.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -88.01 152.03 22.34 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.093 1.357 . . . . 0.0 112.593 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -127.74 129.88 47.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.977 1.311 . . . . 0.0 111.183 -173.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.22 118.2 13.37 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.258 1.423 . . . . 0.0 110.097 172.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.421 ' HB3' HG21 ' A' ' 83' ' ' ILE . 26.8 ptt? -150.88 42.73 0.79 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.0 p -65.86 163.12 17.55 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.58 0.752 . . . . 0.0 110.677 166.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -58.6 -33.71 70.3 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.744 -1.222 . . . . 0.0 111.862 174.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -64.24 -46.41 83.93 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.155 0.982 . . . . 0.0 111.802 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.51 91.34 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.823 0.738 . . . . 0.0 112.202 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.24 -48.14 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.513 1.125 . . . . 0.0 110.358 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -64.07 -37.42 87.39 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.877 1.217 . . . . 0.0 113.456 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -72.48 -36.71 68.51 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -79.59 -36.62 37.82 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.372 1.069 . . . . 0.0 112.446 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -132.45 88.78 38.3 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 126.185 1.794 . . . . 0.0 110.819 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -69.29 -18.34 39.29 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.445 2.097 . . . . 0.0 113.684 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -69.51 -11.5 60.88 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.99 -10.17 59.27 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 119.191 0.905 . . . . 0.0 112.502 173.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 126.014 1.725 . . . . 0.0 112.263 173.821 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.4 mtm . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 120.231 0.062 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -124.55 158.57 32.67 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.987 1.715 . . . . 0.0 111.563 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.76 149.43 8.61 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.91 1.243 . . . . 0.0 112.883 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -156.72 160.23 39.1 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.669 1.188 . . . . 0.0 112.495 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -126.22 170.02 12.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.366 1.866 . . . . 0.0 111.747 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -70.2 -39.22 75.31 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -173.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 55.3 169.79 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.271 2.228 . . . . 0.0 115.007 -171.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -152.88 -42.14 0.1 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.66 1.584 . . . . 0.0 112.797 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 48.22 43.63 18.94 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.683 1.593 . . . . 0.0 113.669 -174.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -67.44 -21.05 65.57 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 176.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.33 -164.29 50.6 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.518 1.056 . . . . 0.0 113.731 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 t -162.65 -64.87 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.805 0.842 . . . . 0.0 112.863 170.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.69 0.31 73.55 Favored Glycine 0 CA--C 1.543 1.793 0 C-N-CA 124.652 1.12 . . . . 0.0 115.163 -170.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.51 -178.91 7.2 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.053 1.427 . . . . 0.0 113.102 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.77 144.65 25.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.872 1.269 . . . . 0.0 110.901 171.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.8 137.46 34.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.115 0.966 . . . . 0.0 111.049 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.12 137.44 34.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.344 0.658 . . . . 0.0 110.632 168.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.6 mt -120.38 152.91 37.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.974 1.31 . . . . 0.0 110.813 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -69.34 134.51 49.17 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.936 -0.478 . . . . 0.0 110.023 167.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.79 -24.08 20.44 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -151.82 169.42 22.29 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.589 1.156 . . . . 0.0 112.418 -168.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.99 -142.83 30.15 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 124.49 1.043 . . . . 0.0 114.02 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -63.21 -30.99 74.82 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.479 2.786 . . . . 0.0 113.932 -171.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.43 16.09 15.67 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.821 1.248 . . . . 0.0 113.917 -165.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.06 122.21 7.23 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.161 0.892 . . . . 0.0 112.489 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.15 -7.43 80.61 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.485 1.516 . . . . 0.0 115.957 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.2 mt -81.81 150.78 66.52 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 119.731 1.766 . . . . 0.0 111.628 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -62.79 147.09 95.1 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.331 2.687 . . . . 0.0 112.208 171.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.2 t -81.16 -48.79 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.8 p -111.73 168.63 9.41 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.596 1.158 . . . . 0.0 113.597 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -52.85 -39.77 62.82 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.263 1.025 . . . . 0.0 111.841 168.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.0 m -66.69 -43.51 84.2 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.866 0.866 . . . . 0.0 111.701 175.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -60.36 -40.88 92.32 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.057 -1.027 . . . . 0.0 111.756 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.58 91.92 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.086 0.955 . . . . 0.0 112.522 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -55.05 -45.19 75.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.258 1.023 . . . . 0.0 111.816 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.9 t -72.45 -38.43 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.394 0.678 . . . . 0.0 110.577 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -51.46 69.36 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.488 0.715 . . . . 0.0 111.825 172.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -55.74 -46.83 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.348 0.659 . . . . 0.0 110.285 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -63.21 -53.79 47.55 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -71.73 -33.47 68.74 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.018 -1.051 . . . . 0.0 113.307 -175.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.1 -44.01 95.14 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.875 -0.516 . . . . 0.0 111.101 167.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -62.32 -40.38 96.14 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.84 171.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.89 -44.0 91.07 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 121.139 1.79 . . . . 0.0 111.643 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.67 -50.0 66.56 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.535 -1.353 . . . . 0.0 112.032 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -61.39 -35.72 78.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.973 0.909 . . . . 0.0 112.25 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -68.2 -42.69 79.51 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.147 1.779 . . . . 0.0 111.725 174.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -63.07 -29.9 71.17 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.9 m -76.71 -43.38 37.71 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 168.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -138.61 102.9 7.78 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.861 2.064 . . . . 0.0 110.462 -169.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -72.32 -11.69 26.92 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.256 2.638 . . . . 0.0 115.648 -161.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -79.08 -3.47 45.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.531 1.532 . . . . 0.0 114.849 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 118.23 6.28 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -165.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 126.17 34.41 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.289 1.035 . . . . 0.0 110.77 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -95.72 124.5 39.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.657 1.583 . . . . 0.0 111.619 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -128.31 128.82 45.31 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.572 1.549 . . . . 0.0 109.303 163.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -152.73 44.72 0.68 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.89 0.852 . . . . 0.0 113.048 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.5 m -59.52 150.34 27.22 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.512 0.725 . . . . 0.0 110.856 168.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -60.11 -34.77 73.96 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.974 -1.079 . . . . 0.0 112.52 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -62.77 -42.67 99.79 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.695 0.798 . . . . 0.0 111.507 172.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.7 91.92 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.892 0.769 . . . . 0.0 112.108 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 98.5 mt -59.42 -51.47 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.103 0.961 . . . . 0.0 110.057 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -69.96 -29.68 66.86 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -77.02 -40.3 47.04 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.559 1.072 . . . . 0.0 112.993 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -77.16 -36.85 54.83 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.113 0.965 . . . . 0.0 112.135 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -125.99 85.59 59.22 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.595 1.558 . . . . 0.0 110.664 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -68.36 -17.73 44.26 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.447 2.098 . . . . 0.0 113.713 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -67.98 -12.92 61.67 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.77 -10.42 58.3 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.086 0.857 . . . . 0.0 112.854 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.846 1.658 . . . . 0.0 112.147 170.48 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -139.54 155.59 47.42 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.878 1.671 . . . . 0.0 111.779 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.48 157.91 12.63 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.577 1.084 . . . . 0.0 113.768 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 t -154.18 149.92 27.55 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.308 1.443 . . . . 0.0 111.635 175.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -134.43 22.06 3.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.162 1.385 . . . . 0.0 113.779 -174.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -148.99 130.49 14.84 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -148.99 141.42 24.22 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.055 1.342 . . . . 0.0 112.239 169.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.475 ' CG ' ' H ' ' A' ' 9' ' ' HIS . 23.0 t-80 51.52 -150.92 0.27 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.759 2.024 . . . . 0.0 113.442 -176.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.475 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 44.2 t60 -139.94 159.48 42.07 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.709 1.604 . . . . 0.0 112.01 -173.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -73.41 177.31 5.32 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.166 0.987 . . . . 0.0 113.495 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.42 127.97 6.11 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.085 1.326 . . . . 0.0 113.358 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -157.8 179.72 8.94 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.962 2.105 . . . . 0.0 109.633 170.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.61 172.83 41.94 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.126 -0.984 . . . . 0.0 115.242 -176.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.56 -174.47 0.09 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.216 1.806 . . . . 0.0 113.98 -169.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.4 mt -88.66 149.78 23.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.678 1.191 . . . . 0.0 111.577 176.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.42 132.37 34.23 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.145 0.578 . . . . 0.0 111.124 171.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.25 142.33 31.21 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.581 0.753 . . . . 0.0 110.743 167.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.6 mt -121.58 153.53 37.92 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.911 1.284 . . . . 0.0 111.158 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.54 135.96 47.29 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.992 -0.442 . . . . 0.0 110.049 165.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.57 -22.48 20.31 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -151.02 171.36 17.43 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.727 1.211 . . . . 0.0 113.313 -168.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.63 -142.89 33.03 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 124.046 0.832 . . . . 0.0 114.106 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.95 -30.33 76.68 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.516 2.811 . . . . 0.0 113.916 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -116.34 15.81 15.78 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.755 1.222 . . . . 0.0 113.874 -165.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.64 122.41 8.06 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 119.337 0.971 . . . . 0.0 112.465 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.92 -6.58 80.63 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.349 1.452 . . . . 0.0 115.773 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.7 mt -80.81 150.37 69.18 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-N 119.653 1.727 . . . . 0.0 111.637 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -61.88 147.46 95.17 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.351 2.7 . . . . 0.0 112.239 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.71 -47.34 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 121.846 -0.534 . . . . 0.0 112.431 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -111.32 167.62 10.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 113.45 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -57.74 -37.23 73.25 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.265 -0.897 . . . . 0.0 111.591 171.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.3 m -65.43 -44.64 86.71 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.113 0.965 . . . . 0.0 111.684 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -58.2 -43.06 87.44 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.584 1.084 . . . . 0.0 111.646 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.33 99.08 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -62.71 -39.91 95.5 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.313 -0.867 . . . . 0.0 112.213 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.27 -41.02 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.165 0.986 . . . . 0.0 110.195 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.8 -50.71 72.34 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.735 174.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.82 -46.02 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 118.42 0.555 . . . . 0.0 110.386 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -65.48 -54.27 30.75 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -58.72 -45.76 88.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.448 0.699 . . . . 0.0 112.236 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.48 -51.72 67.5 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.933 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -53.63 -42.88 68.23 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.753 1.161 . . . . 0.0 112.374 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -61.91 -43.47 98.77 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.785 1.175 . . . . 0.0 111.529 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.09 -41.88 81.19 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 121.075 -1.015 . . . . 0.0 113.062 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? -60.49 -35.67 76.48 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.772 -1.205 . . . . 0.0 110.96 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -70.27 -37.59 74.92 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.263 1.425 . . . . 0.0 111.963 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -61.89 -35.26 77.81 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.352 0.524 . . . . 0.0 111.813 169.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -73.26 -43.38 61.19 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 171.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -138.95 104.34 7.4 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.808 2.043 . . . . 0.0 110.454 -171.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.38 -18.62 44.05 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.22 2.613 . . . . 0.0 116.014 -158.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.7 p90 -81.98 -3.1 53.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.63 1.972 . . . . 0.0 115.39 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 124.91 18.07 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.434 1.093 . . . . 0.0 113.638 -164.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.6 mtm180 -90.3 144.27 25.99 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.638 1.175 . . . . 0.0 112.869 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -119.95 129.44 54.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.198 1.399 . . . . 0.0 111.222 -170.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -138.65 114.9 10.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.18 1.392 . . . . 0.0 110.837 174.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -150.45 43.79 0.85 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 t -53.57 152.24 5.21 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.907 0.883 . . . . 0.0 110.992 160.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -54.8 -35.1 63.5 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.079 -1.013 . . . . 0.0 112.388 171.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -64.83 -38.71 91.9 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.384 0.674 . . . . 0.0 111.884 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.32 79.87 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.394 0.678 . . . . 0.0 112.118 174.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.1 mm -59.2 -51.73 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 119.293 0.951 . . . . 0.0 110.233 170.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.36 -28.68 67.33 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -75.3 -40.67 58.31 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.304 0.956 . . . . 0.0 113.106 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -78.52 -34.13 47.48 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.126 0.971 . . . . 0.0 112.763 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -133.21 91.65 27.16 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.356 1.863 . . . . 0.0 110.17 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.45 -15.16 31.08 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.576 2.184 . . . . 0.0 114.134 -174.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -74.67 -12.69 60.49 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.47 -24.56 60.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.364 0.984 . . . . 0.0 112.998 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.288 0 C-N-CA 124.753 1.221 . . . . 0.0 112.536 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptm . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -145.82 165.16 29.69 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.853 1.661 . . . . 0.0 111.687 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.35 23.27 63.34 Favored Glycine 0 CA--C 1.535 1.318 0 N-CA-C 116.506 1.363 . . . . 0.0 116.506 163.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -139.56 134.43 32.15 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.688 1.244 . . . . 0.0 111.95 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -143.02 -38.06 0.35 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.708 1.203 . . . . 0.0 113.887 -173.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -157.03 129.05 7.23 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.933 1.693 . . . . 0.0 109.369 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -149.24 -30.57 0.24 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.728 2.121 . . . . 0.0 116.728 -170.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -150.6 80.38 1.34 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 120.454 1.479 . . . . 0.0 113.002 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -79.86 147.7 31.63 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.21 0.529 . . . . 0.0 111.867 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -158.74 -179.2 7.85 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.441 1.896 . . . . 0.0 109.821 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.25 162.25 31.73 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.146 0.879 . . . . 0.0 114.513 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 t -149.91 -62.46 0.21 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.04 7.29 86.66 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 -176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.49 -176.76 2.4 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 118.603 1.202 . . . . 0.0 113.241 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.37 156.33 16.37 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.196 1.398 . . . . 0.0 111.222 170.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.54 140.82 49.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.844 1.258 . . . . 0.0 112.031 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.78 147.42 23.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.015 1.326 . . . . 0.0 111.805 172.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.6 mt -123.11 155.73 36.38 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.132 1.373 . . . . 0.0 111.298 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -70.71 136.97 49.34 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.965 -0.46 . . . . 0.0 109.888 164.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.55 -22.71 19.37 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -151.39 168.35 25.1 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.456 1.102 . . . . 0.0 112.493 -168.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.22 -143.16 31.51 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 124.672 1.13 . . . . 0.0 114.027 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.08 -31.99 83.51 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.541 2.827 . . . . 0.0 113.936 -171.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -115.31 16.24 16.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.711 1.204 . . . . 0.0 113.796 -165.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.45 122.05 7.32 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.156 0.889 . . . . 0.0 112.228 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.61 -3.69 86.81 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 125.201 1.381 . . . . 0.0 115.827 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.4 mt -85.44 150.99 55.44 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 119.65 1.725 . . . . 0.0 111.596 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -63.45 149.13 91.92 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.493 2.795 . . . . 0.0 112.588 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.7 t -84.36 -46.43 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 p -112.02 169.48 8.82 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.734 1.214 . . . . 0.0 113.457 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -53.91 -42.16 68.43 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 121.297 -0.877 . . . . 0.0 111.895 167.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.6 m -65.94 -39.78 90.79 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.677 0.791 . . . . 0.0 111.855 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.89 -47.25 87.25 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.088 0.858 . . . . 0.0 111.203 172.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.8 98.09 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.717 0.807 . . . . 0.0 112.544 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -61.7 -42.56 99.1 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.469 1.108 . . . . 0.0 112.013 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.09 -33.2 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.852 0.861 . . . . 0.0 111.319 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.51 -49.1 78.08 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.82 0.736 . . . . 0.0 111.415 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.2 mt -56.19 -46.07 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 122.924 0.49 . . . . 0.0 110.42 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -62.61 -53.62 51.86 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -62.22 -42.86 99.69 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.738 0.699 . . . . 0.0 112.253 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.47 -46.24 89.4 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.035 0.534 . . . . 0.0 111.648 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.37 -44.88 89.05 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 118.688 -0.672 . . . . 0.0 112.21 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.84 -44.19 90.6 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.799 1.182 . . . . 0.0 111.746 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.65 -46.84 80.79 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.289 -0.882 . . . . 0.0 111.889 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -62.98 -28.86 70.38 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 117.62 -1.181 . . . . 0.0 112.245 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.32 -37.01 71.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.696 1.589 . . . . 0.0 111.751 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -62.0 -33.28 74.04 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.603 0.638 . . . . 0.0 111.836 168.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -75.64 -37.84 59.37 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 169.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -143.41 95.97 5.85 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 127.005 2.122 . . . . 0.0 110.623 -167.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.18 -9.81 27.32 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.179 2.586 . . . . 0.0 115.91 -163.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 11.0 p90 -82.68 -1.4 51.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.001 1.72 . . . . 0.0 115.106 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.68 123.74 18.33 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.297 1.039 . . . . 0.0 113.552 -167.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.75 151.79 25.03 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.541 1.136 . . . . 0.0 112.586 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -130.38 123.3 29.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.789 1.236 . . . . 0.0 110.346 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -137.05 119.99 16.42 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.728 1.211 . . . . 0.0 110.317 171.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -149.66 41.24 0.85 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.5 t -66.03 159.92 24.87 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.475 0.71 . . . . 0.0 111.039 163.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -57.33 -33.01 67.29 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.81 -1.182 . . . . 0.0 113.32 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -62.34 -39.92 94.67 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.562 0.745 . . . . 0.0 111.74 172.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.8 76.15 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.673 -0.642 . . . . 0.0 111.922 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.12 -51.46 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.202 0.91 . . . . 0.0 110.502 171.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -67.3 -34.22 76.93 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -73.75 -34.16 64.62 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -83.42 -33.96 25.6 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.016 0.927 . . . . 0.0 113.002 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -133.85 89.47 29.83 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 126.576 1.95 . . . . 0.0 110.463 -178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -70.32 -18.36 34.43 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.348 2.032 . . . . 0.0 113.802 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -70.09 -10.64 59.41 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.34 -9.48 58.2 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.177 0.898 . . . . 0.0 112.405 173.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 . . . . . 0 C--O 1.255 1.352 0 C-N-CA 125.758 1.623 . . . . 0.0 111.917 167.535 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -147.96 136.85 21.93 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.999 1.319 . . . . 0.0 111.807 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.57 179.96 28.68 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 125.185 1.374 . . . . 0.0 116.121 171.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.1 m -142.99 158.83 43.23 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.82 2.048 . . . . 0.0 110.86 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -86.08 146.88 26.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.266 0.626 . . . . 0.0 112.049 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -145.59 136.56 24.62 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.424 1.489 . . . . 0.0 110.757 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -142.49 138.82 31.23 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.93 1.292 . . . . 0.0 111.451 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -157.0 135.76 11.63 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.846 1.259 . . . . 0.0 111.25 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -162.46 160.66 26.51 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.894 1.278 . . . . 0.0 111.275 169.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -85.21 -179.13 6.94 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.225 1.41 . . . . 0.0 114.132 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.43 -167.64 37.76 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.658 1.123 . . . . 0.0 113.728 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -134.7 163.36 29.95 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.194 1.398 . . . . 0.0 112.641 -172.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.69 -134.33 2.91 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.987 1.279 . . . . 0.0 113.999 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 61.08 -164.21 0.24 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.03 1.732 . . . . 0.0 113.366 -169.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -82.55 151.46 26.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.557 1.143 . . . . 0.0 112.597 -171.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.42 140.35 51.48 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.376 1.47 . . . . 0.0 110.74 169.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.71 143.2 28.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.919 0.888 . . . . 0.0 111.342 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.5 mt -122.55 155.25 36.66 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.026 1.331 . . . . 0.0 111.041 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -70.96 137.47 49.19 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 122.002 -0.436 . . . . 0.0 109.88 164.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.54 -22.44 18.83 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -151.26 167.94 26.28 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.534 1.133 . . . . 0.0 112.649 -168.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.28 -141.27 29.74 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.641 1.115 . . . . 0.0 114.048 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.64 -31.41 79.35 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.561 2.84 . . . . 0.0 113.956 -171.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.88 15.22 16.31 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.677 1.191 . . . . 0.0 113.907 -165.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.1 121.96 7.69 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.193 0.906 . . . . 0.0 112.294 -176.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.06 -4.61 85.75 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 125.209 1.385 . . . . 0.0 115.871 -176.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.95 149.79 60.23 Favored Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 119.654 1.727 . . . . 0.0 111.619 173.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -63.45 147.33 93.38 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.363 2.708 . . . . 0.0 112.276 173.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.62 -48.68 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 118.344 0.52 . . . . 0.0 112.384 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.5 p -110.24 169.12 8.94 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.507 1.123 . . . . 0.0 113.758 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -57.52 -37.02 72.35 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 121.487 -0.758 . . . . 0.0 111.826 169.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 m -66.58 -41.81 87.95 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.155 0.982 . . . . 0.0 111.761 174.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -61.35 -44.04 97.86 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.028 0.831 . . . . 0.0 111.301 173.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.23 97.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.658 0.783 . . . . 0.0 112.484 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 50.8 ttm-85 -59.82 -44.16 94.17 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.344 1.057 . . . . 0.0 112.173 173.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.74 -37.07 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.558 0.743 . . . . 0.0 110.813 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.07 -50.76 71.99 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.557 0.617 . . . . 0.0 111.676 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.15 -43.46 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 118.517 0.599 . . . . 0.0 109.969 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -62.28 -50.35 72.05 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -64.06 -43.98 93.81 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.356 -0.84 . . . . 0.0 112.003 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.76 -45.51 92.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.997 0.919 . . . . 0.0 111.592 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.8 t90 -56.79 -51.0 70.65 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.608 0.763 . . . . 0.0 111.871 171.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -63.85 -41.57 97.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.443 1.02 . . . . 0.0 111.954 -174.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.06 -49.45 75.94 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.351 -0.843 . . . . 0.0 111.69 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -65.47 -24.86 67.26 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.214 -0.929 . . . . 0.0 112.323 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -74.76 -35.84 62.58 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.122 1.369 . . . . 0.0 112.339 173.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.9 mmt85 -63.13 -33.43 75.44 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.537 0.608 . . . . 0.0 111.44 167.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.6 m -73.78 -42.89 60.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 169.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -143.34 102.97 5.08 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.709 2.004 . . . . 0.0 110.713 -169.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.87 -10.27 26.02 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.31 2.673 . . . . 0.0 116.399 -159.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.4 p90 -84.45 0.31 50.06 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.057 1.743 . . . . 0.0 115.245 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.0 126.29 26.85 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.495 1.118 . . . . 0.0 113.508 -167.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -74.74 153.89 38.62 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.362 1.065 . . . . 0.0 113.07 170.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -126.66 98.63 5.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.864 1.265 . . . . 0.0 109.824 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -122.77 94.15 4.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.773 1.229 . . . . 0.0 110.224 -171.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -144.26 57.21 1.32 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.123 0.969 . . . . 0.0 112.818 -172.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.7 p -60.92 164.75 4.61 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.144 -0.972 . . . . 0.0 111.083 163.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.7 -38.69 75.65 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.6 -1.312 . . . . 0.0 111.374 173.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.87 -46.16 90.19 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.581 1.152 . . . . 0.0 111.618 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.33 89.74 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.603 0.638 . . . . 0.0 112.339 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.05 -44.94 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.642 1.11 . . . . 0.0 110.383 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -67.96 -31.94 72.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.572 1.078 . . . . 0.0 113.682 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -75.94 -38.74 57.27 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.922 -1.111 . . . . 0.0 113.136 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -70.61 -39.59 73.67 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.806 1.242 . . . . 0.0 111.675 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -136.02 90.83 18.05 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 126.036 1.734 . . . . 0.0 110.665 -174.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.31 -18.97 38.87 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.531 2.154 . . . . 0.0 113.884 -176.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -70.4 -10.41 59.0 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.91 -10.1 59.01 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.355 0.979 . . . . 0.0 112.45 172.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 . . . . . 0 C--O 1.257 1.458 0 C-N-CA 125.617 1.567 . . . . 0.0 111.524 164.353 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 119.355 -0.355 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 63.69 149.3 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 127.794 2.438 . . . . 0.0 114.75 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.89 168.38 36.1 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.777 1.179 . . . . 0.0 113.243 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t -152.29 146.55 25.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.931 1.292 . . . . 0.0 111.482 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -136.08 131.17 34.5 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.119 1.368 . . . . 0.0 111.355 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -153.4 122.36 6.48 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.805 1.242 . . . . 0.0 110.296 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -148.1 129.69 14.98 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.127 0.971 . . . . 0.0 110.457 171.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -74.44 166.29 23.75 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.295 1.438 . . . . 0.0 113.346 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -145.72 145.89 31.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.17 0.988 . . . . 0.0 112.12 167.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -151.94 151.9 31.82 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.878 1.671 . . . . 0.0 110.774 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.72 -170.74 39.27 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 123.914 0.768 . . . . 0.0 113.555 -173.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -158.12 136.32 10.86 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.016 0.926 . . . . 0.0 112.507 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.45 -111.57 3.84 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.918 1.247 . . . . 0.0 115.346 163.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 61.36 151.66 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.004 2.121 . . . . 0.0 114.001 -159.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.4 tp -97.38 132.85 42.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.395 1.078 . . . . 0.0 112.192 -173.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.88 128.02 47.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.299 1.04 . . . . 0.0 110.332 165.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.79 139.96 34.49 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.56 0.744 . . . . 0.0 110.827 170.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.5 mt -120.51 151.86 38.8 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.781 1.232 . . . . 0.0 111.118 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -69.09 137.06 53.19 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.026 0.531 . . . . 0.0 110.322 168.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.37 -22.26 19.04 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -151.69 168.54 24.68 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.406 1.082 . . . . 0.0 112.59 -167.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.31 -143.98 32.53 Favored Glycine 0 CA--C 1.543 1.807 0 C-N-CA 124.609 1.099 . . . . 0.0 114.177 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -62.52 -30.43 79.68 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.532 2.822 . . . . 0.0 113.977 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -115.65 14.88 16.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.737 1.215 . . . . 0.0 113.915 -165.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.21 122.83 8.32 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.4 1.0 . . . . 0.0 112.45 -177.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.48 -7.78 77.57 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.436 1.493 . . . . 0.0 115.854 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.8 mt -80.83 151.79 71.24 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 119.682 1.741 . . . . 0.0 111.524 173.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -61.68 146.69 96.57 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.2 2.6 . . . . 0.0 112.274 170.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 t -80.12 -49.36 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 119.002 -0.523 . . . . 0.0 112.235 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.5 p -110.43 168.68 9.27 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.49 1.116 . . . . 0.0 113.543 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -55.32 -39.5 70.04 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.564 1.145 . . . . 0.0 112.021 169.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.3 m -67.2 -41.29 86.05 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.971 0.909 . . . . 0.0 112.024 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -60.94 -43.73 98.24 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.25 -0.907 . . . . 0.0 111.395 173.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.32 97.55 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.845 0.858 . . . . 0.0 112.42 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -59.43 -42.95 93.07 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.185 0.994 . . . . 0.0 111.991 172.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.9 t -74.75 -30.63 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.206 -0.934 . . . . 0.0 111.249 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -49.41 76.08 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.051 0.94 . . . . 0.0 111.987 169.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.62 -44.41 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 122.784 0.434 . . . . 0.0 110.104 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.75 -51.23 67.93 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -60.21 -45.45 93.13 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.398 -0.814 . . . . 0.0 112.646 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.43 -52.43 65.26 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.65 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -53.78 -44.2 69.88 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.477 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.7 -47.14 85.55 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 120.13 1.332 . . . . 0.0 112.012 174.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.46 -48.7 80.6 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.627 1.103 . . . . 0.0 111.755 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -62.16 -32.34 72.95 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.622 0.769 . . . . 0.0 111.681 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -75.34 -36.06 61.09 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.701 1.137 . . . . 0.0 112.035 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -69.67 -26.52 64.43 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.496 1.118 . . . . 0.0 111.851 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.0 p -87.38 -34.88 18.63 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 166.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -135.25 100.76 11.46 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 126.483 1.913 . . . . 0.0 111.218 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.26 -19.72 49.92 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.802 3.002 . . . . 0.0 116.45 -156.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.0 p90 -76.49 -4.47 42.79 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.456 1.902 . . . . 0.0 115.466 -174.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 120.21 7.98 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -164.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -85.18 138.38 32.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.493 1.517 . . . . 0.0 112.64 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -110.26 127.81 55.19 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.372 1.469 . . . . 0.0 111.362 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -138.91 122.82 17.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.634 1.574 . . . . 0.0 109.568 163.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -148.69 39.24 0.86 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.6 t -64.64 160.45 19.75 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.775 0.83 . . . . 0.0 111.317 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -59.92 -34.41 73.18 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.805 -1.185 . . . . 0.0 113.256 -171.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -64.96 -39.36 93.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.544 -0.722 . . . . 0.0 111.857 171.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.16 79.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.784 0.72 . . . . 0.0 111.967 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.7 mm -59.12 -54.1 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 118.956 0.798 . . . . 0.0 110.473 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -67.46 -30.21 69.86 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -75.37 -37.72 60.42 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.327 -0.858 . . . . 0.0 113.041 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -79.24 -37.38 38.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.043 0.937 . . . . 0.0 112.541 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.95 91.23 40.32 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 126.625 1.97 . . . . 0.0 110.263 -177.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.71 -15.53 30.18 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.522 2.148 . . . . 0.0 114.043 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -74.25 -11.58 60.32 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.56 -20.73 59.83 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.308 0.958 . . . . 0.0 112.838 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.363 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.411 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.02 140.32 51.68 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.048 1.339 . . . . 0.0 111.804 174.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.53 -61.81 1.6 Allowed Glycine 0 N--CA 1.473 1.15 0 C-N-CA 124.44 1.019 . . . . 0.0 111.624 169.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.79 38.42 30.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.043 1.737 . . . . 0.0 114.357 174.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -81.94 -39.49 23.65 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.363 1.065 . . . . 0.0 113.345 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 51.97 32.85 10.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.648 1.979 . . . . 0.0 115.729 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -110.65 152.01 27.01 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.246 1.418 . . . . 0.0 112.116 -176.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -153.98 144.18 22.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.686 0.794 . . . . 0.0 112.818 163.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 51.76 178.21 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 127.727 2.411 . . . . 0.0 114.62 -173.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -160.36 -36.92 0.05 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.432 -1.417 . . . . 0.0 113.994 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.65 98.0 0.36 Allowed Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.121 0.867 . . . . 0.0 111.143 -163.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t -153.71 -176.86 6.02 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.815 1.646 . . . . 0.0 111.081 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.29 103.62 0.43 Allowed Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.783 1.182 . . . . 0.0 112.835 173.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.48 -175.35 4.96 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.773 1.629 . . . . 0.0 111.042 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -92.84 139.92 30.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.177 0.991 . . . . 0.0 109.963 163.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.84 135.48 36.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.801 0.84 . . . . 0.0 111.254 174.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.3 137.68 33.32 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.711 0.805 . . . . 0.0 110.602 168.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.4 mt -120.5 152.73 37.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.95 1.3 . . . . 0.0 110.728 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -69.11 135.12 50.25 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.937 -0.477 . . . . 0.0 110.092 167.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.19 -23.54 20.19 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -151.77 169.01 23.26 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.56 1.144 . . . . 0.0 112.359 -168.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.79 -143.05 30.67 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 124.621 1.105 . . . . 0.0 114.017 172.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.71 -31.63 78.79 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.487 2.792 . . . . 0.0 113.98 -171.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -115.87 16.31 16.24 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.793 1.237 . . . . 0.0 113.807 -165.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.98 122.17 7.11 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 119.32 0.964 . . . . 0.0 112.491 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.67 -7.15 80.74 Favored Glycine 0 CA--C 1.542 1.728 0 C-N-CA 125.529 1.538 . . . . 0.0 115.827 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.18 151.34 66.24 Favored Pre-proline 0 CA--C 1.547 0.842 0 CA-C-N 119.686 1.743 . . . . 0.0 111.62 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.35 147.83 93.29 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.249 2.633 . . . . 0.0 112.376 172.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.17 -50.67 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -108.1 169.32 8.7 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.597 1.159 . . . . 0.0 113.253 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -56.61 -37.62 70.93 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.099 -1.0 . . . . 0.0 111.761 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.3 m -67.38 -41.22 85.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.678 0.791 . . . . 0.0 111.968 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -61.2 -41.85 97.56 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.364 0.984 . . . . 0.0 111.5 173.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.37 -44.45 94.72 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.033 0.933 . . . . 0.0 112.445 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -56.47 -44.99 81.11 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.068 0.947 . . . . 0.0 111.511 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -73.49 -36.03 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.731 0.812 . . . . 0.0 110.779 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -50.77 72.2 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.63 0.65 . . . . 0.0 111.877 171.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.8 mt -57.48 -46.31 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.071 0.549 . . . . 0.0 110.134 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -64.23 -50.3 68.54 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -63.87 -43.21 96.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.437 0.695 . . . . 0.0 111.999 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.29 -44.79 95.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.837 0.455 . . . . 0.0 111.624 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 50.5 t90 -60.17 -44.33 95.12 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.094 -0.955 . . . . 0.0 112.097 172.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.4 -42.93 92.92 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 120.638 1.563 . . . . 0.0 112.343 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.42 -50.22 64.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.224 0.61 . . . . 0.0 111.736 174.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -63.68 -32.76 74.35 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.069 -1.02 . . . . 0.0 112.326 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -74.74 -32.02 61.98 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.569 1.947 . . . . 0.0 112.19 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.2 mtt85 -63.96 -38.34 90.71 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 118.787 0.721 . . . . 0.0 112.361 164.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.7 m -74.01 -36.52 64.47 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -140.64 98.57 7.1 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 126.573 1.949 . . . . 0.0 110.269 -168.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -72.71 -9.81 24.31 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 123.077 2.518 . . . . 0.0 115.302 -164.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.5 p90 -78.3 -2.58 38.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.541 1.536 . . . . 0.0 114.809 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.3 146.79 18.35 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.749 1.219 . . . . 0.0 113.873 -170.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.25 143.22 50.67 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.508 1.523 . . . . 0.0 111.364 170.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -111.31 126.41 54.88 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.109 1.364 . . . . 0.0 110.977 -167.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -129.27 97.68 4.66 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.299 1.04 . . . . 0.0 111.13 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -148.69 40.56 0.91 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.4 p -58.5 163.83 2.94 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.48 -0.763 . . . . 0.0 110.655 157.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.4 -34.74 69.2 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.652 -1.28 . . . . 0.0 111.766 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -66.04 -45.12 82.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.718 0.807 . . . . 0.0 111.161 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.72 94.89 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.151 0.887 . . . . 0.0 112.329 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.96 -49.67 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.017 0.927 . . . . 0.0 110.378 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -69.08 -30.82 69.22 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.931 1.242 . . . . 0.0 113.804 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -70.74 -44.12 67.46 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.23 0.923 . . . . 0.0 112.532 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -75.68 -38.09 59.01 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.328 1.051 . . . . 0.0 112.431 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -129.88 88.63 48.44 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 126.127 1.771 . . . . 0.0 110.455 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -69.84 -17.88 36.97 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.391 2.061 . . . . 0.0 113.588 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -68.72 -12.06 60.99 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -178.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.49 -10.64 59.7 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.069 0.85 . . . . 0.0 112.681 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.795 1.638 . . . . 0.0 112.045 170.042 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 61.08 163.97 0.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 127.436 2.294 . . . . 0.0 114.469 -172.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.54 143.51 5.4 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.856 1.693 . . . . 0.0 114.543 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.9 t -158.76 151.41 21.93 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.654 1.581 . . . . 0.0 111.106 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -140.72 140.11 34.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.371 1.469 . . . . 0.0 111.572 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -152.29 102.13 2.74 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.962 0.905 . . . . 0.0 111.069 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -137.34 174.81 10.21 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.949 2.099 . . . . 0.0 110.636 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -153.25 155.63 36.95 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.224 -0.923 . . . . 0.0 112.306 172.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -156.07 160.38 39.93 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.159 1.383 . . . . 0.0 111.561 170.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -85.92 -29.29 23.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.12 168.71 11.08 Favored Glycine 0 CA--C 1.541 1.717 0 C-N-CA 125.243 1.402 . . . . 0.0 115.955 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.1 m -131.27 -12.66 3.54 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -169.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.54 30.45 77.64 Favored Glycine 0 CA--C 1.541 1.711 0 CA-C-N 119.526 1.057 . . . . 0.0 115.118 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -101.25 -174.06 2.52 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.488 1.515 . . . . 0.0 114.111 -171.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 mp -92.71 156.23 17.18 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.703 1.601 . . . . 0.0 111.06 169.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.29 142.35 51.03 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.956 1.302 . . . . 0.0 111.971 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.83 141.45 28.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.673 1.189 . . . . 0.0 111.349 171.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 mt -122.03 153.96 37.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.101 1.361 . . . . 0.0 110.723 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -69.55 136.9 51.93 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.959 -0.463 . . . . 0.0 110.18 167.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.51 -23.44 19.1 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -174.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -151.79 168.7 24.25 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.434 1.094 . . . . 0.0 112.56 -167.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.14 -141.88 29.73 Favored Glycine 0 CA--C 1.542 1.74 0 C-N-CA 124.629 1.109 . . . . 0.0 114.07 172.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.84 -31.26 77.95 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.51 2.807 . . . . 0.0 113.885 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -116.43 15.78 15.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.714 1.206 . . . . 0.0 113.917 -165.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.4 122.27 7.62 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.344 0.975 . . . . 0.0 112.451 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.26 -6.06 82.72 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.424 1.487 . . . . 0.0 115.846 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.1 mt -82.88 151.06 63.37 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 119.659 1.729 . . . . 0.0 111.733 174.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -63.64 149.39 91.02 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.538 2.825 . . . . 0.0 112.511 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.6 t -85.69 -48.05 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -109.28 170.07 8.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.837 1.255 . . . . 0.0 113.341 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -55.84 -40.09 72.34 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.164 -0.96 . . . . 0.0 111.499 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -70.07 -36.46 74.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.333 0.653 . . . . 0.0 112.743 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -61.14 -43.84 98.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.607 1.094 . . . . 0.0 111.172 170.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.16 94.14 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.093 0.957 . . . . 0.0 112.446 176.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -58.93 -44.61 91.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.341 1.056 . . . . 0.0 111.712 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.8 t -73.51 -33.76 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.642 -0.661 . . . . 0.0 110.847 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -50.94 72.13 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.936 0.789 . . . . 0.0 111.809 169.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.94 -46.97 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.029 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -62.12 -51.46 67.82 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -62.52 -43.61 98.4 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.317 0.647 . . . . 0.0 112.489 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.57 -44.69 93.37 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 122.075 -0.391 . . . . 0.0 111.793 175.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -59.26 -46.98 87.07 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.052 0.941 . . . . 0.0 111.986 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -61.48 -45.94 92.11 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.926 1.239 . . . . 0.0 111.869 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -49.47 77.33 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.193 0.906 . . . . 0.0 112.312 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -64.6 -30.47 71.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.099 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.51 -39.24 77.69 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.246 1.384 . . . . 0.0 111.939 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.2 mmm-85 -63.15 -31.99 73.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.779 0.832 . . . . 0.0 111.241 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.0 m -77.0 -40.13 47.82 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 168.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -141.93 98.01 6.35 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 126.739 2.016 . . . . 0.0 110.777 -168.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.11 -9.43 25.54 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.493 2.795 . . . . 0.0 116.518 -158.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -81.87 -1.96 49.46 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.754 1.622 . . . . 0.0 115.063 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.94 123.49 16.71 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.362 1.065 . . . . 0.0 113.525 -166.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -86.37 141.22 29.35 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.348 1.059 . . . . 0.0 112.489 175.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -107.02 126.22 52.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.009 1.324 . . . . 0.0 111.727 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -136.73 95.23 3.1 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.747 1.619 . . . . 0.0 110.305 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -148.63 44.5 1.02 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.5 p -62.98 166.43 5.77 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.313 -0.867 . . . . 0.0 110.899 162.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.88 -34.31 69.65 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.867 -1.146 . . . . 0.0 111.802 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -62.24 -52.01 65.44 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.704 0.802 . . . . 0.0 111.302 171.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.51 87.4 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.862 0.755 . . . . 0.0 112.29 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.58 -50.87 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.316 1.046 . . . . 0.0 110.69 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -68.4 -28.57 67.21 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.225 1.375 . . . . 0.0 113.719 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -76.47 -39.88 51.94 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.017 0.927 . . . . 0.0 113.116 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -79.64 -36.67 37.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.51 1.124 . . . . 0.0 112.575 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -127.14 84.95 62.16 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.499 1.92 . . . . 0.0 110.314 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.55 -18.81 48.89 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.341 2.027 . . . . 0.0 113.686 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -68.34 -12.23 60.76 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.49 -11.29 60.71 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.212 0.914 . . . . 0.0 112.357 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.89 1.676 . . . . 0.0 111.757 166.435 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 119.455 -0.307 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 52.22 41.38 30.24 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 125.811 1.645 . . . . 0.0 114.019 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.89 145.36 44.91 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.302 0.953 . . . . 0.0 113.573 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -155.17 159.18 39.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.39 1.476 . . . . 0.0 111.441 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -147.07 157.2 43.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.463 1.505 . . . . 0.0 112.397 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -149.18 153.28 37.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.282 1.433 . . . . 0.0 111.967 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -141.38 106.44 4.97 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.974 1.31 . . . . 0.0 109.992 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -156.26 152.1 27.32 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.421 1.089 . . . . 0.0 112.116 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -158.36 154.82 27.64 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.694 1.198 . . . . 0.0 113.491 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -154.03 147.09 24.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.291 1.836 . . . . 0.0 109.193 167.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.73 162.68 32.77 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.077 0.846 . . . . 0.0 113.498 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.4 p -137.74 9.35 2.85 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -169.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.85 -139.97 32.27 Favored Glycine 0 CA--C 1.539 1.555 0 O-C-N 121.113 -0.992 . . . . 0.0 113.182 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.89 -167.72 0.15 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.918 1.687 . . . . 0.0 114.301 -176.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 tp -89.66 140.31 29.69 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.382 1.473 . . . . 0.0 112.526 -173.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.48 137.47 36.38 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.353 1.061 . . . . 0.0 111.31 165.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.66 144.2 27.25 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.216 1.006 . . . . 0.0 111.398 170.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 mt -122.23 154.53 37.4 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.012 1.325 . . . . 0.0 111.369 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -70.39 137.51 50.55 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.728 0.411 . . . . 0.0 110.078 165.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.74 -24.52 17.79 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -175.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -145.79 169.48 18.45 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.175 1.39 . . . . 0.0 112.853 -169.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.99 -145.36 34.94 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 124.24 0.924 . . . . 0.0 114.21 171.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.08 -30.9 83.27 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.552 2.834 . . . . 0.0 113.963 -172.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -114.58 15.43 17.73 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.79 1.236 . . . . 0.0 113.884 -165.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.33 122.49 7.9 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.35 0.977 . . . . 0.0 112.225 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.78 -5.38 83.94 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.334 1.445 . . . . 0.0 115.88 -176.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.95 150.86 62.72 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 119.561 1.68 . . . . 0.0 111.622 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.29 146.41 93.7 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.287 2.658 . . . . 0.0 112.05 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.8 t -80.55 -50.06 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.847 -0.533 . . . . 0.0 112.345 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.7 p -109.13 170.35 8.11 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.538 1.135 . . . . 0.0 113.324 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -59.75 -34.22 72.68 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.103 -0.998 . . . . 0.0 111.975 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.8 t -66.69 -42.82 85.88 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.512 0.725 . . . . 0.0 111.428 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.03 -42.78 99.12 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 120.903 -1.123 . . . . 0.0 111.681 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.72 97.11 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.733 0.813 . . . . 0.0 112.591 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -57.56 -45.64 84.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.001 1.321 . . . . 0.0 111.959 171.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.15 -34.64 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.765 0.826 . . . . 0.0 110.842 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.51 -49.75 74.13 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.904 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.9 mt -55.51 -47.73 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 118.8 0.727 . . . . 0.0 109.954 176.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -64.58 -53.69 43.8 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -63.44 -41.9 98.66 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.812 0.733 . . . . 0.0 112.337 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.4 -45.81 85.99 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.209 0.604 . . . . 0.0 111.469 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -57.15 -47.18 81.79 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.304 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.39 -43.01 99.84 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 120.563 1.528 . . . . 0.0 112.266 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.83 -48.91 78.44 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.135 -0.978 . . . . 0.0 111.494 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -64.01 -28.27 69.69 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.718 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -80.21 -32.75 38.49 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.691 1.996 . . . . 0.0 112.469 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -64.51 -35.84 82.25 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.993 0.917 . . . . 0.0 111.147 165.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t -73.6 -42.54 61.4 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 172.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -136.66 102.54 9.46 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.669 1.988 . . . . 0.0 110.685 -171.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.9 -10.48 28.56 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.208 2.605 . . . . 0.0 115.68 -163.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 p90 -84.12 -3.34 58.04 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.888 1.675 . . . . 0.0 115.076 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 124.96 22.01 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.9 0.88 . . . . 0.0 113.218 -167.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -85.44 142.34 29.32 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.084 1.354 . . . . 0.0 112.575 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -125.48 125.55 43.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.291 1.436 . . . . 0.0 110.943 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -140.57 133.8 29.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.558 1.543 . . . . 0.0 110.496 172.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -162.35 72.99 0.37 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.655 1.182 . . . . 0.0 112.13 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.4 p -73.87 170.48 15.27 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.357 0.663 . . . . 0.0 110.856 157.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -59.2 -38.16 79.21 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.867 -1.146 . . . . 0.0 111.561 169.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -62.28 -42.77 99.63 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.964 0.906 . . . . 0.0 111.569 174.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.53 90.69 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.487 0.585 . . . . 0.0 112.132 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.89 -45.68 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.173 0.897 . . . . 0.0 110.474 173.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.7 -30.95 70.59 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.694 1.134 . . . . 0.0 114.008 175.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -76.28 -38.0 56.76 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.0 -1.063 . . . . 0.0 113.083 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -79.8 -32.69 40.8 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.907 1.283 . . . . 0.0 112.487 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -135.85 95.66 13.72 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 126.338 1.855 . . . . 0.0 110.357 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.3 -14.43 25.49 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.601 2.201 . . . . 0.0 114.626 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -76.94 -11.55 59.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.36 -25.83 61.68 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.459 1.027 . . . . 0.0 112.848 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.333 0 C-N-CA 124.558 1.143 . . . . 0.0 112.5 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 118.098 -0.953 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.71 172.55 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 126.276 1.83 . . . . 0.0 114.025 -168.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.64 158.5 22.99 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.818 1.199 . . . . 0.0 113.58 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 t -154.41 156.77 37.41 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.394 1.478 . . . . 0.0 111.676 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -122.01 -33.6 3.5 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.511 ' CG ' ' H ' ' A' ' 7' ' ' HIS . 17.9 t60 53.3 -165.74 0.08 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.011 1.725 . . . . 0.0 113.96 -175.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.511 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 78.3 t60 -139.54 147.16 40.82 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.748 1.619 . . . . 0.0 111.631 177.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -114.86 137.48 51.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.051 1.34 . . . . 0.0 113.951 -171.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -105.84 152.52 23.15 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.955 1.702 . . . . 0.0 111.502 170.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -141.92 168.5 19.6 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.84 1.256 . . . . 0.0 114.309 -164.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.59 135.37 3.13 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.463 1.506 . . . . 0.0 114.796 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -153.7 174.07 14.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.78 1.632 . . . . 0.0 111.082 168.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.87 41.58 0.16 Allowed Glycine 0 CA--C 1.535 1.318 0 N-CA-C 115.169 0.828 . . . . 0.0 115.169 -173.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.68 176.42 8.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.075 1.35 . . . . 0.0 112.513 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.19 153.59 18.0 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.051 1.34 . . . . 0.0 110.76 168.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.43 143.94 32.33 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.203 1.001 . . . . 0.0 112.525 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.39 143.62 26.24 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.83 1.252 . . . . 0.0 111.002 163.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mp -127.41 152.62 47.29 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.791 1.236 . . . . 0.0 111.07 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -71.52 133.26 45.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.917 0.487 . . . . 0.0 110.171 169.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.64 -20.67 19.37 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -150.37 168.17 24.91 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.791 1.236 . . . . 0.0 112.374 -168.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.53 -144.62 33.13 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 124.554 1.073 . . . . 0.0 114.062 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.88 -30.82 77.62 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.5 2.8 . . . . 0.0 114.059 -171.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -115.53 15.66 16.64 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.818 1.247 . . . . 0.0 113.879 -165.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.72 122.17 7.73 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.049 0.84 . . . . 0.0 112.195 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.82 2.52 84.19 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.929 1.252 . . . . 0.0 115.888 -176.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 mt -92.39 153.31 42.79 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 119.475 1.637 . . . . 0.0 112.004 172.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -60.66 150.82 80.26 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.181 2.587 . . . . 0.0 111.853 167.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.45 -48.92 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 118.628 0.649 . . . . 0.0 112.274 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -111.32 169.54 8.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.824 1.25 . . . . 0.0 113.779 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -55.0 -41.0 70.73 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.914 0.886 . . . . 0.0 111.612 169.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.1 m -66.23 -40.94 90.62 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.755 0.822 . . . . 0.0 111.99 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -61.08 -44.62 97.09 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.151 0.887 . . . . 0.0 111.46 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.79 98.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.653 0.781 . . . . 0.0 112.071 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.4 ttm-85 -61.94 -42.74 99.46 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.188 0.995 . . . . 0.0 112.056 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.3 t -66.28 -42.98 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.252 1.021 . . . . 0.0 110.41 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.78 -46.59 84.52 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 118.87 -0.586 . . . . 0.0 111.7 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.8 mt -56.69 -48.13 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 118.369 0.531 . . . . 0.0 110.153 173.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.59 -53.04 57.95 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.23 -42.34 98.45 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.519 -0.738 . . . . 0.0 112.617 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.57 -42.43 82.6 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.922 -0.486 . . . . 0.0 111.858 178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -58.71 -47.99 82.66 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.56 0.744 . . . . 0.0 112.016 170.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -39.76 92.51 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.7 1.2 . . . . 0.0 112.43 -178.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -71.25 -43.94 66.25 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.269 -0.895 . . . . 0.0 112.393 175.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -61.19 -31.16 70.92 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.796 171.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -71.63 -36.49 70.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.143 1.377 . . . . 0.0 112.369 175.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 45.0 mtm105 -62.33 -33.69 75.18 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.521 0.6 . . . . 0.0 111.899 168.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 m -76.91 -39.37 51.1 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -144.04 100.36 4.97 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 127.013 2.125 . . . . 0.0 110.386 -167.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.52 -10.61 27.09 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.385 2.723 . . . . 0.0 116.278 -159.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -82.88 -0.25 47.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.914 1.686 . . . . 0.0 115.194 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 126.24 26.75 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -165.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -87.05 143.03 27.5 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.329 1.451 . . . . 0.0 112.339 175.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -117.37 129.51 55.91 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.002 1.321 . . . . 0.0 111.395 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -136.92 104.48 5.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.403 1.481 . . . . 0.0 110.591 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -149.03 34.84 0.74 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.6 m -58.81 152.37 19.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.239 0.616 . . . . 0.0 109.674 157.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.35 -33.28 74.4 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.405 -1.435 . . . . 0.0 112.796 -173.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.18 -41.7 93.46 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.367 -0.833 . . . . 0.0 111.906 170.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.76 84.82 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.327 0.651 . . . . 0.0 111.915 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.62 -47.62 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.658 0.783 . . . . 0.0 110.271 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -67.04 -30.63 70.76 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -77.18 -37.62 53.28 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.125 -0.985 . . . . 0.0 113.345 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -77.44 -34.97 54.45 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.348 1.059 . . . . 0.0 112.517 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -135.9 89.0 21.72 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 126.462 1.905 . . . . 0.0 110.297 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.8 -17.33 37.43 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.457 2.105 . . . . 0.0 114.003 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -69.94 -11.28 60.75 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.52 -9.18 57.8 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.195 0.907 . . . . 0.0 112.86 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.605 1.562 . . . . 0.0 111.948 168.499 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.499 1.999 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -77.23 -43.34 33.9 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 119.397 0.999 . . . . 0.0 112.142 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.47 161.12 44.41 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.523 1.058 . . . . 0.0 112.604 166.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.2 p -151.43 -59.42 0.17 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.216 1.406 . . . . 0.0 110.802 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.8 m80 55.4 33.5 21.01 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.587 1.955 . . . . 0.0 114.686 167.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -73.68 144.94 45.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.424 1.089 . . . . 0.0 111.682 174.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -137.67 -70.85 0.44 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.279 1.032 . . . . 0.0 112.696 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.3 t60 57.47 151.86 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 128.81 2.844 . . . . 0.0 117.438 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -116.96 132.96 56.57 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.548 1.539 . . . . 0.0 112.274 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -147.51 171.28 15.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.936 2.095 . . . . 0.0 109.823 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.37 133.52 3.29 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.522 0.582 . . . . 0.0 112.569 168.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.2 p -151.79 95.97 2.17 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.279 1.032 . . . . 0.0 111.158 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.49 94.46 0.94 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.317 0.961 . . . . 0.0 111.453 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -147.05 179.2 7.78 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.354 1.462 . . . . 0.0 112.131 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.16 150.37 24.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.093 0.957 . . . . 0.0 110.958 166.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.1 133.81 55.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.51 1.124 . . . . 0.0 110.963 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.79 141.99 30.99 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.9 0.88 . . . . 0.0 111.03 172.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.7 mt -122.13 154.55 37.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.985 1.314 . . . . 0.0 111.023 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.69 135.27 48.19 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.948 -0.47 . . . . 0.0 109.865 164.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 -23.52 20.65 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.65 168.28 25.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.687 1.195 . . . . 0.0 112.445 -168.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.34 -142.21 29.98 Favored Glycine 0 CA--C 1.543 1.796 0 C-N-CA 124.639 1.114 . . . . 0.0 114.091 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.08 -31.9 83.54 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.515 2.81 . . . . 0.0 113.994 -171.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.73 16.22 16.38 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.717 1.207 . . . . 0.0 113.769 -166.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.77 121.97 7.45 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.202 0.91 . . . . 0.0 112.445 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.89 -5.41 83.98 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 125.313 1.435 . . . . 0.0 115.811 -176.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.1 mt -82.17 149.66 62.81 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 119.611 1.706 . . . . 0.0 111.7 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -63.93 147.22 92.05 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.477 2.785 . . . . 0.0 112.273 173.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.9 t -82.35 -48.75 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 112.476 0.546 . . . . 0.0 112.476 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -109.32 169.21 8.84 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.636 1.174 . . . . 0.0 113.677 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -55.21 -40.47 70.82 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.031 0.932 . . . . 0.0 111.822 169.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.2 m -67.16 -40.14 86.61 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 118.517 -0.754 . . . . 0.0 112.427 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -60.45 -43.19 97.11 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.108 1.322 . . . . 0.0 111.279 173.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.71 93.62 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.765 0.826 . . . . 0.0 112.566 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.8 ttp-105 -59.99 -43.57 95.07 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.992 0.917 . . . . 0.0 111.961 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.6 t -71.29 -35.04 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.11 0.964 . . . . 0.0 110.681 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.7 -51.91 66.48 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.757 0.708 . . . . 0.0 111.708 170.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.4 mt -55.61 -46.84 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.247 0.476 . . . . 0.0 109.966 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.98 -55.07 21.24 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -63.56 -41.64 98.4 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.151 0.887 . . . . 0.0 112.425 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -62.23 -49.12 77.0 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.817 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -55.04 -45.04 75.19 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 117.953 -1.022 . . . . 0.0 111.808 172.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.38 -44.05 97.82 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 120.486 1.494 . . . . 0.0 111.559 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.27 -47.99 80.07 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.468 -0.77 . . . . 0.0 112.175 172.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -63.58 -29.63 70.86 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.587 0.755 . . . . 0.0 111.948 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -76.86 -33.11 57.88 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.187 2.195 . . . . 0.0 111.441 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.1 ttt-85 -64.26 -39.94 94.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.438 1.095 . . . . 0.0 112.33 168.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.6 p -83.08 -33.14 26.46 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -134.45 100.77 12.39 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.569 1.948 . . . . 0.0 110.576 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.89 -10.27 27.32 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 123.322 2.681 . . . . 0.0 115.794 -161.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -82.77 -4.07 57.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.548 1.539 . . . . 0.0 114.862 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 119.38 8.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.004 0.82 . . . . 0.0 112.887 -167.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -86.59 138.8 31.4 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.127 0.971 . . . . 0.0 112.278 175.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.27 125.5 53.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.6 1.56 . . . . 0.0 110.613 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -140.44 124.39 17.39 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.247 1.419 . . . . 0.0 108.726 169.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -154.85 55.66 0.67 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.4 p -59.27 164.5 3.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.455 0.702 . . . . 0.0 112.298 162.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.98 -36.3 70.18 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.109 -0.994 . . . . 0.0 111.779 168.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -61.45 -45.94 92.16 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.296 0.638 . . . . 0.0 110.919 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.83 95.58 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.811 0.732 . . . . 0.0 112.175 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.0 mt -62.15 -49.0 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.218 1.007 . . . . 0.0 110.576 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -66.68 -34.91 78.92 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.778 1.172 . . . . 0.0 113.581 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -72.21 -37.73 69.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.918 0.887 . . . . 0.0 112.732 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -79.24 -38.12 36.39 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.097 0.959 . . . . 0.0 112.462 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -128.84 91.66 42.35 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 126.281 1.832 . . . . 0.0 110.529 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -69.77 -18.55 36.88 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 122.537 2.158 . . . . 0.0 113.967 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -71.04 -10.82 60.41 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.91 -10.91 60.13 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.129 0.877 . . . . 0.0 112.708 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.343 1.457 . . . . 0.0 112.041 170.305 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttm . . . . . 0 N--CA 1.495 1.811 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.35 122.06 8.06 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.933 1.293 . . . . 0.0 110.53 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.85 167.88 34.86 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.46 1.029 . . . . 0.0 113.484 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.8 p -163.23 152.7 15.08 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.908 1.683 . . . . 0.0 111.179 174.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -156.3 162.78 40.08 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.29 1.036 . . . . 0.0 113.2 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -135.57 152.49 51.32 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.407 1.883 . . . . 0.0 109.652 167.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -138.36 37.12 2.28 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.145 0.978 . . . . 0.0 113.267 -171.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -130.2 113.08 14.01 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.87 1.268 . . . . 0.0 111.781 -169.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -155.81 153.2 29.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.257 1.423 . . . . 0.0 111.009 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -151.68 159.68 43.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.27 1.428 . . . . 0.0 112.18 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.62 -24.79 0.27 Allowed Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.84 1.21 . . . . 0.0 114.223 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.9 m -73.58 149.28 42.24 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.631 1.173 . . . . 0.0 113.756 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -171.95 38.2 0.16 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.539 1.066 . . . . 0.0 113.457 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -147.29 -177.28 5.6 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.785 1.634 . . . . 0.0 112.011 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -88.45 149.37 23.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.695 1.198 . . . . 0.0 110.836 170.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.9 134.63 36.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.752 0.821 . . . . 0.0 111.22 171.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.87 140.26 29.83 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.886 0.874 . . . . 0.0 110.872 168.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.9 mt -121.99 152.38 39.79 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.814 1.246 . . . . 0.0 110.924 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -68.58 138.35 55.02 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.853 -0.53 . . . . 0.0 110.307 168.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.54 -24.68 17.15 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -146.03 169.44 18.65 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.01 1.324 . . . . 0.0 112.845 -168.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.39 -144.09 33.85 Favored Glycine 0 CA--C 1.542 1.774 0 C-N-CA 124.178 0.894 . . . . 0.0 114.165 171.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.74 -30.1 77.87 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.515 2.81 . . . . 0.0 113.901 -172.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.46 14.62 16.7 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.655 1.182 . . . . 0.0 113.9 -164.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.56 122.69 8.43 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 119.518 1.053 . . . . 0.0 112.4 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.33 -6.71 81.24 Favored Glycine 0 CA--C 1.541 1.656 0 C-N-CA 125.405 1.478 . . . . 0.0 115.858 -175.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.4 mt -81.6 151.17 67.97 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 119.61 1.705 . . . . 0.0 111.566 173.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -62.92 145.97 94.69 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.269 2.646 . . . . 0.0 112.345 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.5 t -81.65 -52.37 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 119.175 -0.44 . . . . 0.0 112.131 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 p -104.13 169.73 8.32 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.474 1.109 . . . . 0.0 113.305 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.23 -35.63 80.98 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.1 -1.0 . . . . 0.0 111.436 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -66.45 -41.3 89.32 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.456 169.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -59.52 -40.95 88.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 120.17 1.35 . . . . 0.0 111.507 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.89 88.56 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.962 0.905 . . . . 0.0 112.579 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.0 ttp-105 -60.02 -41.29 91.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.986 0.914 . . . . 0.0 112.147 173.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.01 -37.31 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.446 1.098 . . . . 0.0 110.365 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.77 -50.3 74.36 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.605 0.639 . . . . 0.0 111.542 171.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.477 HG21 ' HB3' ' A' ' 101' ' ' MET . 65.2 mt -55.98 -49.28 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.131 0.572 . . . . 0.0 110.308 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.87 -51.66 63.6 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -60.82 -44.71 96.54 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.464 0.706 . . . . 0.0 112.516 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.82 -45.63 93.02 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.859 0.464 . . . . 0.0 111.899 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 48.9 t90 -58.96 -48.01 83.05 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.443 0.697 . . . . 0.0 111.823 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -70.34 -34.1 72.26 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.978 1.263 . . . . 0.0 112.859 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.42 -49.72 65.83 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.596 -1.315 . . . . 0.0 111.197 171.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -66.85 -23.25 66.0 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.909 -1.043 . . . . 0.0 112.347 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -70.76 -38.8 73.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.236 1.38 . . . . 0.0 112.011 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -60.08 -37.16 79.09 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 118.751 0.705 . . . . 0.0 111.771 167.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.4 m -71.51 -41.32 69.37 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -145.01 104.06 4.44 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 127.055 2.142 . . . . 0.0 110.36 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.78 -9.86 25.52 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 123.235 2.623 . . . . 0.0 116.109 -160.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.1 p90 -85.99 4.63 36.95 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.123 1.769 . . . . 0.0 115.193 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 126.13 26.31 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.069 0.948 . . . . 0.0 113.441 -165.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.71 147.8 31.79 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.793 1.637 . . . . 0.0 112.227 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -125.01 126.93 46.2 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.558 1.143 . . . . 0.0 111.814 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -137.23 109.83 7.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.454 1.502 . . . . 0.0 110.222 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.477 ' HB3' HG21 ' A' ' 83' ' ' ILE . 26.2 ptt? -148.16 29.55 0.88 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -177.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.8 m -66.09 160.48 23.82 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.605 -0.684 . . . . 0.0 110.5 166.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -53.17 -41.08 64.84 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.062 -1.024 . . . . 0.0 113.256 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -33.93 74.92 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.335 -0.853 . . . . 0.0 112.514 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.64 81.61 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.612 0.642 . . . . 0.0 111.6 172.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.22 -49.0 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.819 0.848 . . . . 0.0 110.145 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -66.62 -34.74 78.54 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -73.4 -36.48 66.02 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -44.13 31.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.187 0.995 . . . . 0.0 111.028 174.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -125.81 89.61 52.07 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 126.063 1.745 . . . . 0.0 110.841 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.77 -16.81 33.29 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.476 2.117 . . . . 0.0 113.904 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -68.92 -10.76 58.92 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.8 -3.47 28.83 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.123 0.969 . . . . 0.0 112.976 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.944 1.698 . . . . 0.0 111.741 167.488 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 110.926 -0.027 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -132.4 169.6 16.29 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.996 1.719 . . . . 0.0 112.116 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.77 -152.03 20.35 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 125.048 1.308 . . . . 0.0 114.019 177.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 m 59.16 30.32 20.07 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.881 1.673 . . . . 0.0 114.804 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -70.78 147.27 49.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.289 1.036 . . . . 0.0 112.577 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -151.06 154.57 37.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.105 1.362 . . . . 0.0 111.794 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -126.28 -49.78 1.55 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 59.16 145.99 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 127.262 2.225 . . . . 0.0 114.567 -161.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -154.5 159.56 41.05 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.452 1.101 . . . . 0.0 112.621 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 60.76 17.3 7.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.609 1.964 . . . . 0.0 116.041 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.12 161.51 54.14 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.109 -0.994 . . . . 0.0 112.507 165.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -148.03 142.2 26.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.066 0.947 . . . . 0.0 112.412 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.18 147.7 43.11 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.315 0.959 . . . . 0.0 113.666 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.41 172.08 17.05 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.299 1.44 . . . . 0.0 111.544 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -83.62 150.59 25.81 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.882 0.873 . . . . 0.0 111.317 170.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.34 133.87 47.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.94 1.296 . . . . 0.0 110.672 173.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.68 144.01 28.06 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.153 0.981 . . . . 0.0 111.659 175.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.2 mt -121.65 154.57 36.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.285 1.434 . . . . 0.0 110.632 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -69.92 135.62 49.69 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.804 -0.56 . . . . 0.0 109.796 164.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.7 -23.78 20.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -174.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.73 168.5 24.85 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.566 1.146 . . . . 0.0 112.53 -168.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.26 -141.72 29.36 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.372 0.986 . . . . 0.0 114.17 173.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -62.89 -31.9 77.28 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.366 2.71 . . . . 0.0 113.742 -171.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -115.59 16.37 16.52 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -166.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.36 121.68 6.67 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.102 0.865 . . . . 0.0 112.463 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.86 -4.07 86.33 Favored Glycine 0 CA--C 1.542 1.738 0 C-N-CA 125.121 1.343 . . . . 0.0 116.083 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.4 mt -84.59 150.04 55.75 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 119.541 1.671 . . . . 0.0 111.572 173.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -62.78 148.39 93.47 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.457 2.771 . . . . 0.0 112.552 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.1 t -84.75 -48.7 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.403 -177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -109.37 169.17 8.87 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.846 1.259 . . . . 0.0 112.847 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -61.83 -35.96 79.77 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.879 -1.138 . . . . 0.0 111.508 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -65.07 -39.3 93.04 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.508 0.723 . . . . 0.0 111.899 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.14 -48.08 83.24 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.532 1.06 . . . . 0.0 110.968 172.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.43 -43.29 93.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.442 0.697 . . . . 0.0 112.66 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -60.83 -44.11 97.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.843 1.257 . . . . 0.0 112.279 174.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.0 t -71.58 -35.51 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.734 0.814 . . . . 0.0 110.907 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.68 -48.49 81.54 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.679 0.672 . . . . 0.0 111.355 170.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' A' ' 101' ' ' MET . 67.5 mt -56.67 -48.9 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.438 0.563 . . . . 0.0 110.305 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -62.57 -51.56 66.87 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -62.37 -45.13 94.55 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.274 0.629 . . . . 0.0 111.976 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.76 -44.94 94.89 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.878 -0.514 . . . . 0.0 111.831 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -58.26 -46.81 85.3 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.059 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -64.37 -44.15 92.27 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.801 1.182 . . . . 0.0 111.946 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -64.15 -47.51 79.61 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.299 -0.876 . . . . 0.0 111.934 174.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -65.99 -26.11 67.39 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 117.535 -1.221 . . . . 0.0 112.227 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.41 -36.2 71.26 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.825 1.648 . . . . 0.0 111.886 172.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -62.34 -35.41 79.02 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.783 0.719 . . . . 0.0 111.712 168.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.0 m -73.88 -39.67 63.74 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -143.56 96.74 5.63 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 127.008 2.123 . . . . 0.0 110.114 -167.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.15 -10.07 27.42 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.444 2.762 . . . . 0.0 116.122 -160.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 8.5 p90 -81.8 -0.64 44.21 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.821 1.648 . . . . 0.0 115.017 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.07 123.99 18.45 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.058 0.943 . . . . 0.0 113.509 -167.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -87.01 144.23 26.99 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.567 1.547 . . . . 0.0 112.128 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -119.39 125.25 48.54 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.471 1.109 . . . . 0.0 111.824 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.86 120.87 15.59 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.635 1.574 . . . . 0.0 109.896 168.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.426 ' HB3' HG21 ' A' ' 83' ' ' ILE . 27.1 ptt? -149.17 40.53 0.87 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.5 t -66.51 158.21 30.2 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.413 0.685 . . . . 0.0 111.282 168.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -53.96 -38.83 65.41 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.69 1.196 . . . . 0.0 112.111 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.87 -41.61 91.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.721 0.808 . . . . 0.0 112.178 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.06 87.98 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.492 0.717 . . . . 0.0 111.777 175.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.2 -46.5 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.504 1.122 . . . . 0.0 110.284 173.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -64.43 -39.41 93.78 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.912 1.233 . . . . 0.0 113.836 174.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.42 -37.9 80.72 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.668 0.787 . . . . 0.0 112.805 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 -80.55 -39.04 28.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.757 0.823 . . . . 0.0 112.548 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -128.74 88.09 52.98 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.242 1.817 . . . . 0.0 110.727 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.72 -17.94 42.28 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 122.473 2.115 . . . . 0.0 113.61 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -68.62 -12.45 61.35 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.64 -10.32 59.06 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.088 0.858 . . . . 0.0 112.609 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.811 1.645 . . . . 0.0 112.252 171.164 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mpp? . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 119.753 -0.165 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -125.73 11.41 7.85 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.99 152.95 10.28 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.443 1.02 . . . . 0.0 113.621 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.2 p -152.78 -23.26 0.16 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -66.88 151.9 46.68 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.977 1.311 . . . . 0.0 113.275 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -149.57 119.01 6.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.913 1.285 . . . . 0.0 111.146 174.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -70.44 115.17 9.31 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.143 0.577 . . . . 0.0 110.865 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -146.42 110.36 4.96 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.993 1.317 . . . . 0.0 110.715 -174.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -137.24 163.2 31.5 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.604 1.162 . . . . 0.0 113.613 -167.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -157.32 -48.59 0.07 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.659 1.583 . . . . 0.0 111.043 174.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.46 154.64 30.89 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.002 1.763 . . . . 0.0 114.788 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -150.02 144.61 25.92 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.031 1.332 . . . . 0.0 112.446 -178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.82 0.41 84.47 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.934 1.254 . . . . 0.0 114.694 172.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.71 165.7 22.42 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 118.604 1.202 . . . . 0.0 113.783 -176.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -101.6 153.92 19.32 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.677 1.591 . . . . 0.0 110.639 170.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.71 136.79 40.96 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.132 0.973 . . . . 0.0 112.066 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.14 146.21 24.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.731 1.212 . . . . 0.0 111.42 169.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.0 mt -121.61 154.65 36.48 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.019 1.328 . . . . 0.0 111.447 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -71.02 136.35 48.31 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 122.702 0.401 . . . . 0.0 110.008 164.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.84 -25.4 18.12 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -176.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -145.9 170.06 17.35 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.192 1.397 . . . . 0.0 112.585 -169.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.36 -144.96 33.83 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 124.198 0.904 . . . . 0.0 114.14 171.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -62.46 -30.6 80.26 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.548 2.832 . . . . 0.0 113.944 -172.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.35 15.56 16.84 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.735 1.214 . . . . 0.0 113.882 -165.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.25 122.4 7.69 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 119.246 0.93 . . . . 0.0 112.325 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.17 -6.32 81.87 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.331 1.443 . . . . 0.0 115.895 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.8 mt -81.98 151.37 66.98 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 119.643 1.722 . . . . 0.0 111.559 172.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -62.16 147.73 94.51 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.276 2.651 . . . . 0.0 112.153 171.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.41 -49.12 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -111.34 167.58 10.19 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.415 1.086 . . . . 0.0 113.683 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -49.93 -43.12 49.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.659 1.183 . . . . 0.0 111.844 166.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.9 m -67.34 -40.65 85.87 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.674 0.79 . . . . 0.0 111.986 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.9 -45.1 95.94 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.997 0.817 . . . . 0.0 111.343 173.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.01 99.58 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.945 0.898 . . . . 0.0 112.292 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -61.64 -42.43 98.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.108 0.963 . . . . 0.0 112.306 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -72.39 -36.24 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.071 0.948 . . . . 0.0 111.097 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.91 -50.76 72.12 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.538 0.608 . . . . 0.0 111.252 170.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.407 HG21 ' HB3' ' A' ' 101' ' ' MET . 64.7 mt -55.27 -48.14 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 122.942 0.497 . . . . 0.0 110.207 176.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.32 -55.85 21.25 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -70.66 -33.36 70.86 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -175.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.64 -48.26 82.36 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.973 -0.455 . . . . 0.0 110.335 167.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -59.05 -39.11 81.04 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.943 -1.027 . . . . 0.0 113.256 173.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.76 -48.58 80.72 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.764 1.62 . . . . 0.0 111.531 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -64.62 -45.42 86.97 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.213 -0.929 . . . . 0.0 111.925 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -61.22 -37.5 83.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.084 0.954 . . . . 0.0 111.085 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.32 -39.92 85.9 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.593 1.557 . . . . 0.0 112.015 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.8 -33.38 74.01 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.582 0.628 . . . . 0.0 112.073 172.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.4 m -78.36 -37.39 44.41 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 170.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -142.58 94.83 6.6 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 127.0 2.12 . . . . 0.0 110.149 -167.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.05 -9.02 24.83 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.365 2.71 . . . . 0.0 116.175 -160.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -81.69 -2.48 50.62 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.731 1.612 . . . . 0.0 114.987 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 124.58 20.61 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.504 1.121 . . . . 0.0 113.73 -165.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -96.12 149.03 22.07 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.054 1.341 . . . . 0.0 112.556 173.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -122.55 120.86 35.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.073 1.349 . . . . 0.0 111.576 -165.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.3 99.38 6.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.453 1.501 . . . . 0.0 109.811 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.407 ' HB3' HG21 ' A' ' 83' ' ' ILE . 21.6 ptt? -139.37 33.03 2.08 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.8 t -63.23 159.82 16.96 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.92 -0.488 . . . . 0.0 111.014 163.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -53.74 -42.72 68.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.54 1.136 . . . . 0.0 112.411 -175.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -63.86 -38.46 91.17 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.629 0.772 . . . . 0.0 111.453 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.54 -38.55 84.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.362 0.983 . . . . 0.0 112.184 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 60.0 mt -59.76 -52.47 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.976 0.807 . . . . 0.0 109.971 172.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -70.7 -28.6 64.88 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -78.17 -37.9 44.78 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.18 0.992 . . . . 0.0 112.875 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -75.67 -37.1 59.85 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.876 0.87 . . . . 0.0 112.062 174.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -131.67 92.04 32.1 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.719 1.608 . . . . 0.0 110.911 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.45 -18.19 29.79 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.512 2.142 . . . . 0.0 113.725 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -69.81 -11.5 60.91 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.15 -11.45 60.74 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.023 0.829 . . . . 0.0 112.687 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.522 1.529 . . . . 0.0 111.943 171.841 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -128.12 163.56 24.36 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.565 1.546 . . . . 0.0 112.246 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.87 169.0 43.8 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.313 1.435 . . . . 0.0 114.573 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.2 m -139.08 155.13 48.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.745 1.618 . . . . 0.0 112.409 -174.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -81.25 149.89 28.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.436 1.094 . . . . 0.0 112.973 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -161.09 158.95 28.53 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.693 1.597 . . . . 0.0 112.476 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -129.01 -37.95 1.67 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.947 1.699 . . . . 0.0 112.698 167.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 44.99 72.37 0.21 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.967 2.107 . . . . 0.0 113.934 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CG ' ' H ' ' A' ' 10' ' ' HIS . 4.9 t60 -91.69 -163.5 1.05 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.521 1.128 . . . . 0.0 112.41 -177.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.499 ' H ' ' CG ' ' A' ' 9' ' ' HIS . 46.2 t-80 -140.04 162.04 36.18 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.148 1.779 . . . . 0.0 111.604 176.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.26 -173.55 33.96 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.337 0.97 . . . . 0.0 114.49 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.6 p -145.97 155.24 42.69 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.24 1.416 . . . . 0.0 112.846 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.22 126.78 10.41 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.063 0.84 . . . . 0.0 113.103 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.32 177.67 11.01 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.063 1.745 . . . . 0.0 111.033 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -89.32 142.01 28.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.112 0.965 . . . . 0.0 110.519 168.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.63 134.22 50.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.603 1.161 . . . . 0.0 110.797 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.83 137.61 35.24 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.373 0.669 . . . . 0.0 110.702 171.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 mt -120.07 152.84 36.96 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.953 1.301 . . . . 0.0 110.795 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -69.93 133.84 47.74 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.886 -0.509 . . . . 0.0 110.002 167.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.84 -24.08 21.51 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -151.99 169.24 22.83 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.618 1.167 . . . . 0.0 112.392 -168.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.0 -142.46 29.61 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.586 1.088 . . . . 0.0 114.165 172.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -62.53 -31.49 80.18 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.539 2.826 . . . . 0.0 114.019 -171.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.4 16.3 15.69 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.811 1.245 . . . . 0.0 113.784 -165.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.04 122.12 7.09 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.248 0.931 . . . . 0.0 112.492 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.01 -7.58 79.9 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.525 1.536 . . . . 0.0 115.808 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.1 mt -81.53 150.39 66.73 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.683 1.742 . . . . 0.0 111.688 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -62.33 147.61 94.66 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.306 2.67 . . . . 0.0 112.43 170.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.22 -51.66 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.3 p -107.61 168.49 9.21 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.601 1.161 . . . . 0.0 113.284 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -55.98 -37.75 69.5 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.043 -1.036 . . . . 0.0 111.744 169.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.0 m -67.41 -41.48 84.81 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.869 0.868 . . . . 0.0 111.805 175.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -60.79 -43.78 97.68 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.347 -0.846 . . . . 0.0 111.426 172.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.21 -45.87 91.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.116 0.966 . . . . 0.0 112.249 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -59.65 -42.48 92.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.053 0.941 . . . . 0.0 112.002 173.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.1 t -71.97 -38.6 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.201 -0.937 . . . . 0.0 110.711 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -51.2 70.95 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.541 0.736 . . . . 0.0 111.777 172.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.408 HG21 ' HB3' ' A' ' 101' ' ' MET . 59.6 mt -59.82 -43.45 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.168 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -62.35 -52.83 62.07 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -61.28 -43.02 99.57 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.917 0.781 . . . . 0.0 112.699 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.07 -43.36 99.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.691 0.797 . . . . 0.0 111.819 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -64.24 -41.6 96.91 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.546 172.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.43 -45.41 93.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 120.671 1.578 . . . . 0.0 111.7 176.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.05 -47.75 83.3 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.268 -0.895 . . . . 0.0 111.686 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -68.36 -25.22 64.97 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.37 -0.831 . . . . 0.0 112.704 177.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -72.13 -39.51 68.76 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.052 1.296 . . . . 0.0 111.185 171.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -63.46 -33.49 75.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.223 173.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.3 p -84.23 -35.33 23.52 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 170.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -139.9 99.7 7.45 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 126.814 2.046 . . . . 0.0 111.237 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.39 -8.45 22.67 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 123.55 2.833 . . . . 0.0 116.434 -160.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -83.82 0.57 46.96 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.884 1.674 . . . . 0.0 115.139 -177.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 126.79 28.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.413 1.085 . . . . 0.0 113.848 -165.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.73 149.62 29.63 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.544 1.138 . . . . 0.0 112.843 171.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -119.14 100.02 7.08 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.203 1.001 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -116.52 76.33 1.02 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.862 1.265 . . . . 0.0 110.943 -172.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.408 ' HB3' HG21 ' A' ' 83' ' ' ILE . 23.8 ptt? -132.51 36.1 3.59 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -175.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.6 t -60.0 157.8 12.12 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.622 -0.674 . . . . 0.0 109.902 161.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -57.2 -35.43 69.61 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.46 -1.4 . . . . 0.0 113.009 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.35 -41.49 97.14 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.942 0.897 . . . . 0.0 112.189 172.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.75 75.42 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.788 0.835 . . . . 0.0 112.471 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.66 -48.11 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 118.871 0.759 . . . . 0.0 109.832 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -71.21 -32.71 69.14 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -72.48 -36.85 68.54 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.554 1.07 . . . . 0.0 112.819 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.9 ttm105 -78.43 -37.02 44.75 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.527 1.131 . . . . 0.0 112.393 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -134.91 86.76 31.77 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.778 2.031 . . . . 0.0 110.84 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -69.1 -17.76 40.43 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.507 2.138 . . . . 0.0 113.526 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -66.35 -13.67 60.94 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.52 -11.47 60.86 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.055 0.843 . . . . 0.0 113.028 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.117 1.767 . . . . 0.0 112.619 170.342 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.282 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.004 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -94.96 160.92 14.36 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.877 1.271 . . . . 0.0 111.667 173.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.67 178.43 48.43 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.191 0.901 . . . . 0.0 114.316 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.0 p -78.92 169.9 17.51 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.433 1.493 . . . . 0.0 113.018 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -82.27 -93.25 0.06 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.7 0.8 . . . . 0.0 112.6 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -146.52 -56.01 0.27 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.312 1.045 . . . . 0.0 113.328 -173.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 59.86 8.11 1.3 Allowed 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 116.863 2.171 . . . . 0.0 116.863 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -60.6 123.87 18.68 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.028 0.931 . . . . 0.0 110.161 168.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.61 126.78 6.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.414 1.086 . . . . 0.0 109.261 -173.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -83.42 155.36 23.5 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -164.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.32 -149.62 23.03 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.944 1.735 . . . . 0.0 114.195 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -154.79 -41.85 0.09 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.618 1.167 . . . . 0.0 112.991 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.21 100.13 2.33 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.92 1.247 . . . . 0.0 111.277 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.07 178.29 10.12 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.444 1.498 . . . . 0.0 111.952 -172.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.4 mt -83.57 152.61 24.77 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.2 1.0 . . . . 0.0 111.359 167.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.65 137.41 54.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.934 1.294 . . . . 0.0 111.133 174.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.44 138.34 32.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.92 0.888 . . . . 0.0 111.016 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.8 mt -119.64 151.8 38.12 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.99 1.316 . . . . 0.0 110.644 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -68.82 134.95 50.39 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.93 -0.481 . . . . 0.0 110.157 168.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.2 -23.43 20.22 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.92 168.82 23.95 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.553 1.141 . . . . 0.0 112.387 -168.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.61 -143.17 31.04 Favored Glycine 0 CA--C 1.543 1.785 0 C-N-CA 124.511 1.053 . . . . 0.0 114.165 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.75 -30.75 78.46 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.566 2.844 . . . . 0.0 114.111 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -116.05 15.33 16.13 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.748 1.219 . . . . 0.0 113.893 -165.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.04 122.31 7.37 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.338 0.972 . . . . 0.0 112.487 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.25 -7.95 78.7 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.502 1.525 . . . . 0.0 115.838 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.4 mt -80.68 150.96 70.73 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 119.71 1.755 . . . . 0.0 111.579 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -61.39 146.56 97.06 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.197 2.598 . . . . 0.0 112.167 170.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.3 t -80.28 -51.85 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 118.997 -0.525 . . . . 0.0 112.341 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.5 p -108.15 168.62 9.16 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.324 1.05 . . . . 0.0 113.486 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -55.11 -37.31 66.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.282 1.033 . . . . 0.0 112.11 168.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -67.28 -44.04 80.29 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.716 0.806 . . . . 0.0 111.621 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.68 -42.24 92.47 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.072 -1.017 . . . . 0.0 111.719 174.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.23 94.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.265 1.026 . . . . 0.0 112.351 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -58.35 -44.31 88.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.094 0.958 . . . . 0.0 111.888 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.3 t -72.9 -35.82 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.563 0.745 . . . . 0.0 110.701 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -51.47 69.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.798 0.726 . . . . 0.0 111.836 171.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.21 -47.57 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -62.26 -54.98 32.96 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -71.25 -33.71 70.06 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.464 1.029 . . . . 0.0 113.545 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.9 -49.9 75.89 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.498 166.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -56.54 -42.4 78.42 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.379 174.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -55.4 -47.79 75.35 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 121.088 1.767 . . . . 0.0 111.094 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.77 -50.43 66.83 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.58 -0.7 . . . . 0.0 112.501 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -62.66 -32.12 73.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.171 0.988 . . . . 0.0 111.542 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -73.67 -34.98 65.16 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.977 1.711 . . . . 0.0 111.664 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -62.82 -38.91 92.63 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.82 0.848 . . . . 0.0 112.359 170.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.6 p -82.97 -33.04 26.73 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -134.85 100.85 11.86 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.426 1.89 . . . . 0.0 110.852 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.3 -10.55 27.31 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.31 2.673 . . . . 0.0 115.939 -160.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -82.68 -1.98 52.8 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.874 1.67 . . . . 0.0 114.93 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 120.29 9.97 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -164.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -82.43 135.8 35.07 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.766 1.226 . . . . 0.0 112.661 173.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -112.56 122.79 48.7 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.043 1.337 . . . . 0.0 110.994 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.56 123.9 21.96 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.93 1.292 . . . . 0.0 109.878 167.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -155.83 36.01 0.35 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.596 1.158 . . . . 0.0 113.415 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 t -57.34 155.21 9.39 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.731 -0.606 . . . . 0.0 109.931 161.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -59.86 -30.29 68.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.028 -1.045 . . . . 0.0 112.704 -171.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -63.18 -43.93 96.87 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.03 0.932 . . . . 0.0 111.585 171.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.04 84.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.399 0.68 . . . . 0.0 112.142 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.06 -53.56 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.617 0.767 . . . . 0.0 110.56 171.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -66.79 -32.09 73.15 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -74.74 -34.76 62.59 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -84.59 -32.55 23.71 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.953 0.901 . . . . 0.0 112.991 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -131.16 90.63 38.19 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 126.032 1.733 . . . . 0.0 110.248 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.53 -15.23 30.79 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.517 2.145 . . . . 0.0 114.0 -175.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -72.85 -12.36 60.95 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.94 -20.88 61.69 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.209 0.913 . . . . 0.0 113.088 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 125.831 1.652 . . . . 0.0 111.401 176.502 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 ttp . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -100.66 142.05 32.68 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.879 1.272 . . . . 0.0 111.482 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.06 -166.71 28.09 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.514 1.054 . . . . 0.0 114.397 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.9 m -134.07 -67.76 0.58 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.601 1.161 . . . . 0.0 111.776 177.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -156.44 169.01 25.59 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.543 1.537 . . . . 0.0 110.885 173.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -90.57 141.05 29.17 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.847 1.259 . . . . 0.0 111.752 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -152.65 153.24 32.9 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.78 1.232 . . . . 0.0 112.411 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -157.42 -52.35 0.07 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 173.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -79.08 141.79 37.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.904 0.882 . . . . 0.0 112.9 -175.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -101.59 -20.44 15.05 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.33 178.31 51.78 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.45 1.024 . . . . 0.0 115.189 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.5 t -156.07 -49.69 0.08 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.628 1.171 . . . . 0.0 112.792 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.91 119.86 2.11 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.194 1.378 . . . . 0.0 112.554 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.59 177.6 11.03 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.503 1.521 . . . . 0.0 111.896 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.7 tp -92.04 132.62 36.42 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.948 1.299 . . . . 0.0 110.844 169.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.21 135.79 35.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.798 0.839 . . . . 0.0 111.292 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.29 140.41 29.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.988 0.915 . . . . 0.0 111.158 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.9 mt -121.45 152.61 38.9 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.983 1.313 . . . . 0.0 111.152 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -69.38 136.31 51.5 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.013 0.525 . . . . 0.0 110.303 168.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.63 -25.75 18.15 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -146.42 170.08 17.57 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.219 1.408 . . . . 0.0 112.771 -169.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.8 -145.47 33.94 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.119 0.866 . . . . 0.0 114.21 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.16 -30.46 82.09 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.647 2.898 . . . . 0.0 113.93 -172.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -115.44 15.64 16.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.816 1.246 . . . . 0.0 113.824 -165.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.11 123.11 8.71 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.504 1.047 . . . . 0.0 112.482 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.31 -7.51 78.26 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 125.364 1.459 . . . . 0.0 115.857 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.7 mt -81.64 151.6 68.46 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 119.631 1.715 . . . . 0.0 111.811 174.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -62.33 146.66 95.74 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.308 2.672 . . . . 0.0 112.389 170.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.13 -53.89 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 119.06 -0.495 . . . . 0.0 112.228 -177.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 p -103.1 169.88 8.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.4 1.08 . . . . 0.0 113.354 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -61.05 -37.35 82.32 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.091 -1.006 . . . . 0.0 111.402 173.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 m -69.37 -36.98 77.36 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.776 171.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.73 -43.15 98.26 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.273 1.397 . . . . 0.0 111.267 171.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.85 -44.57 95.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.894 0.878 . . . . 0.0 112.422 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -57.47 -44.64 85.01 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.772 1.229 . . . . 0.0 112.014 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.39 -35.08 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.963 0.905 . . . . 0.0 110.822 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -52.19 66.58 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.738 0.699 . . . . 0.0 111.737 171.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' A' ' 101' ' ' MET . 72.8 mt -56.63 -47.21 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -60.49 -56.77 17.36 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -70.96 -33.97 70.97 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.423 1.01 . . . . 0.0 113.562 -174.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.34 -49.42 77.27 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.023 -0.423 . . . . 0.0 110.447 168.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -59.85 -40.75 89.6 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 117.411 -1.28 . . . . 0.0 112.818 173.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.05 -47.36 78.04 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.307 1.867 . . . . 0.0 111.01 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.06 -48.36 80.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.641 -0.662 . . . . 0.0 111.884 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -65.07 -33.63 76.5 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.435 -0.791 . . . . 0.0 111.839 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -76.36 -33.07 58.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.996 2.118 . . . . 0.0 112.46 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -66.4 -34.83 78.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.472 0.709 . . . . 0.0 111.847 166.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 t -74.2 -42.44 59.81 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 173.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -138.12 104.84 7.98 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.765 2.026 . . . . 0.0 110.442 -171.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.32 -11.16 28.27 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.147 2.564 . . . . 0.0 115.859 -161.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -83.44 -3.52 57.65 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.647 1.579 . . . . 0.0 114.935 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.24 123.16 16.36 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.881 0.872 . . . . 0.0 113.112 -167.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -91.68 146.43 23.78 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.507 1.123 . . . . 0.0 112.718 175.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -118.85 126.46 51.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.438 1.495 . . . . 0.0 110.72 -169.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -136.85 101.8 4.69 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.162 1.385 . . . . 0.0 110.369 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.412 ' HB3' HG21 ' A' ' 83' ' ' ILE . 23.1 ptt? -149.14 41.64 0.91 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -174.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.8 p -63.2 169.4 3.54 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.582 -0.699 . . . . 0.0 111.176 160.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -56.3 -34.03 66.11 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.003 -1.06 . . . . 0.0 112.116 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.48 -48.51 72.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.001 0.92 . . . . 0.0 110.549 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.23 -37.97 89.32 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.11 -48.36 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.197 0.999 . . . . 0.0 110.604 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -65.14 -33.83 76.94 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 120.189 1.359 . . . . 0.0 113.252 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -72.42 -38.44 68.36 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 118.943 0.792 . . . . 0.0 113.042 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -76.95 -36.52 56.47 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.236 1.014 . . . . 0.0 112.774 175.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -136.69 92.79 14.52 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.36 1.864 . . . . 0.0 110.625 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.28 -15.22 28.44 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.488 2.125 . . . . 0.0 114.159 -175.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -71.38 -11.89 61.13 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.05 -15.64 59.53 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 124.722 1.209 . . . . 0.0 111.094 177.629 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.497 1.902 0 CA-C-O 118.824 -0.608 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -137.6 13.33 2.96 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -169.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.89 156.62 40.44 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.356 0.979 . . . . 0.0 113.641 177.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.7 m -141.45 153.06 44.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.723 1.609 . . . . 0.0 111.698 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -135.83 -85.3 0.37 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.223 1.009 . . . . 0.0 111.59 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.6 t60 45.43 76.55 0.09 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.657 1.983 . . . . 0.0 114.267 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -100.08 166.29 11.1 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.066 1.346 . . . . 0.0 111.135 169.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -145.71 153.32 40.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.557 1.143 . . . . 0.0 111.225 177.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.99 -53.12 0.12 Allowed 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -177.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.3 t60 40.98 72.57 0.15 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.495 2.318 . . . . 0.0 115.828 168.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.88 72.04 0.17 Allowed Glycine 0 N--CA 1.471 0.971 0 C-N-CA 123.379 0.514 . . . . 0.0 112.433 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -146.45 174.4 11.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.228 1.411 . . . . 0.0 112.268 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.95 52.24 0.03 OUTLIER Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.482 1.039 . . . . 0.0 113.46 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -140.93 -179.77 6.26 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.016 1.326 . . . . 0.0 112.384 -173.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.94 142.67 34.01 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.371 1.468 . . . . 0.0 110.509 169.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.47 141.77 28.38 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.931 0.892 . . . . 0.0 112.223 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.54 138.75 31.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.885 0.874 . . . . 0.0 110.651 167.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.3 mt -121.33 153.18 38.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.008 1.323 . . . . 0.0 110.991 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -68.47 135.41 51.62 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.876 -0.515 . . . . 0.0 110.0 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 -22.91 20.85 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -177.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -151.3 172.05 16.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.651 1.18 . . . . 0.0 113.149 -168.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.47 -144.25 34.0 Favored Glycine 0 CA--C 1.542 1.735 0 CA-C-O 119.212 -0.771 . . . . 0.0 114.111 172.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -63.11 -30.89 75.78 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.369 2.712 . . . . 0.0 113.875 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -116.16 16.74 15.91 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.775 1.23 . . . . 0.0 113.977 -165.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.71 122.64 7.57 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 119.187 0.903 . . . . 0.0 112.433 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.18 -6.85 80.5 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.435 1.493 . . . . 0.0 115.814 -176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.61 151.82 65.62 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.729 1.764 . . . . 0.0 111.696 174.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -63.01 146.57 94.79 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.22 2.614 . . . . 0.0 112.223 171.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.6 -49.74 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -176.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.7 p -110.38 170.03 8.35 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.579 1.152 . . . . 0.0 113.19 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -54.99 -39.79 69.39 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.182 -0.949 . . . . 0.0 111.527 168.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.5 m -65.48 -42.92 91.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.784 0.833 . . . . 0.0 111.58 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -61.04 -42.07 97.79 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.134 -0.979 . . . . 0.0 111.707 173.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.06 99.71 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.848 0.859 . . . . 0.0 112.468 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.8 ttt-85 -58.32 -44.54 88.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.6 1.16 . . . . 0.0 111.627 171.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.6 t -72.11 -35.48 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.884 0.874 . . . . 0.0 110.756 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.57 -50.24 72.07 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.782 0.833 . . . . 0.0 112.062 172.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.6 mt -55.52 -45.73 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 122.828 0.451 . . . . 0.0 109.842 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -61.75 -53.33 57.51 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -60.95 -44.54 97.12 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.938 0.79 . . . . 0.0 112.763 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.6 -46.02 87.7 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.527 0.731 . . . . 0.0 111.657 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.1 t90 -56.71 -51.07 70.22 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.921 -1.038 . . . . 0.0 111.301 170.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.44 -40.97 96.41 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.355 1.434 . . . . 0.0 112.01 -174.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.06 -50.7 70.93 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.238 -0.914 . . . . 0.0 111.816 172.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -66.66 -25.79 66.74 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.231 -0.918 . . . . 0.0 112.71 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -80.22 -34.16 37.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 127.084 2.154 . . . . 0.0 112.192 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -65.03 -34.39 78.33 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.836 0.854 . . . . 0.0 111.393 166.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.5 t -73.22 -50.82 20.34 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.16 110.15 21.55 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 127.096 2.159 . . . . 0.0 111.085 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -71.47 -9.44 25.17 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 123.353 2.702 . . . . 0.0 116.053 -162.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -89.05 0.41 56.71 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.89 1.676 . . . . 0.0 115.274 -174.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 124.94 24.46 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.976 0.91 . . . . 0.0 113.115 -169.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -79.17 157.22 27.93 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.223 1.009 . . . . 0.0 112.342 171.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -126.09 117.17 22.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.092 1.357 . . . . 0.0 110.617 -174.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.42 92.56 3.69 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.74 1.616 . . . . 0.0 110.558 -174.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -143.82 40.6 1.4 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.9 p -62.63 164.28 7.87 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.905 -0.497 . . . . 0.0 110.901 159.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -57.35 -37.24 72.28 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.76 -1.213 . . . . 0.0 111.793 171.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.69 -48.64 79.88 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.459 1.104 . . . . 0.0 111.662 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.03 -41.04 97.69 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.506 0.593 . . . . 0.0 111.998 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.76 -50.97 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.806 0.842 . . . . 0.0 110.496 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -68.43 -25.98 65.29 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.79 1.177 . . . . 0.0 113.734 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -77.62 -42.12 36.09 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.082 0.953 . . . . 0.0 113.355 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -89.12 -25.88 21.63 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.723 1.209 . . . . 0.0 113.188 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -129.62 85.7 57.75 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 126.877 2.071 . . . . 0.0 109.974 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.78 -17.32 42.17 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.512 2.141 . . . . 0.0 113.996 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -68.83 -12.4 61.49 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.64 -10.2 59.41 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.132 0.878 . . . . 0.0 112.875 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.571 1.548 . . . . 0.0 112.177 169.596 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 110.853 -0.054 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.23 137.95 35.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.244 0.618 . . . . 0.0 110.571 170.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.57 152.62 37.87 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.968 1.307 . . . . 0.0 110.779 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -69.71 137.18 51.84 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.874 -0.516 . . . . 0.0 110.1 167.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.95 -23.01 18.87 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -151.56 168.74 23.98 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.414 1.086 . . . . 0.0 112.501 -168.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.82 -142.02 30.27 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 124.635 1.112 . . . . 0.0 113.993 172.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.12 -30.75 75.6 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.47 2.78 . . . . 0.0 113.98 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -116.4 15.51 15.74 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.707 1.203 . . . . 0.0 113.913 -165.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.52 121.93 7.17 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.286 0.948 . . . . 0.0 112.372 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.66 -6.84 81.72 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 125.493 1.52 . . . . 0.0 115.911 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.1 mt -81.97 150.85 66.13 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 119.766 1.783 . . . . 0.0 111.602 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -62.59 148.91 92.68 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.406 2.737 . . . . 0.0 112.652 172.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.03 -49.78 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.7 p -107.7 168.66 9.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.591 1.156 . . . . 0.0 113.144 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -39.44 68.51 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 121.051 -1.031 . . . . 0.0 111.724 169.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.2 m -72.74 -35.32 67.48 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.3 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.12 -43.54 95.58 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.714 1.143 . . . . 0.0 111.13 168.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.33 98.85 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.919 0.888 . . . . 0.0 112.56 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.4 ttp-105 -58.38 -44.7 89.01 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.691 0.796 . . . . 0.0 111.8 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.38 -36.7 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.581 0.752 . . . . 0.0 110.389 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -51.19 70.51 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.529 0.732 . . . . 0.0 111.996 171.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -57.26 -45.17 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.193 0.597 . . . . 0.0 110.169 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -65.15 -52.28 56.05 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -61.59 -42.51 98.96 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.206 0.912 . . . . 0.0 112.864 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.92 -43.96 97.77 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.827 -0.546 . . . . 0.0 111.468 174.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -62.01 -43.16 99.42 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.245 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.39 -46.38 86.5 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.426 1.921 . . . . 0.0 111.47 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.8 -50.42 71.08 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.54 -0.725 . . . . 0.0 111.846 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.55 -30.61 71.64 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.31 -0.869 . . . . 0.0 112.628 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -74.23 -34.17 63.59 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.51 1.924 . . . . 0.0 112.075 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.35 -33.97 76.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.452 0.701 . . . . 0.0 111.743 168.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.6 m -76.18 -37.18 58.19 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -140.09 98.77 7.5 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 126.571 1.948 . . . . 0.0 110.318 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.57 -13.4 37.22 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.1 2.533 . . . . 0.0 115.483 -162.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 10.4 p90 -79.25 -11.09 59.95 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.413 1.485 . . . . 0.0 114.912 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.81 124.9 13.63 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.304 1.042 . . . . 0.0 113.167 -165.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -93.36 139.2 30.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.436 1.095 . . . . 0.0 111.981 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -112.29 127.09 55.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.413 1.485 . . . . 0.0 110.265 -174.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -142.29 103.45 4.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.788 1.235 . . . . 0.0 109.953 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -148.81 46.79 1.02 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.9 p -59.9 165.33 3.27 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.336 0.655 . . . . 0.0 112.191 163.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.09 -43.97 70.82 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.282 -0.886 . . . . 0.0 111.101 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -49.15 78.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.17 0.988 . . . . 0.0 111.255 174.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.88 -36.93 85.55 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.598 0.635 . . . . 0.0 112.688 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 68.2 mt -65.37 -48.14 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.375 -0.821 . . . . 0.0 110.53 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -68.87 -25.48 64.65 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.925 1.239 . . . . 0.0 114.034 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -79.22 -43.24 24.21 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.247 1.019 . . . . 0.0 113.006 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -70.96 -41.08 71.53 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.462 1.105 . . . . 0.0 111.884 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -127.37 87.41 56.35 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 126.164 1.786 . . . . 0.0 110.269 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -69.92 -13.45 34.29 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.497 2.132 . . . . 0.0 114.086 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -73.74 -13.79 61.02 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.28 -20.78 63.01 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.518 1.054 . . . . 0.0 113.033 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.34 1.856 . . . . 0.0 111.876 -177.873 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.72 143.61 29.91 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.506 0.722 . . . . 0.0 111.519 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.3 mt -120.18 153.81 35.71 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.043 1.337 . . . . 0.0 110.9 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -70.75 132.58 45.57 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 164.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.0 -23.54 22.59 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -175.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -151.64 169.03 23.14 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.831 1.253 . . . . 0.0 112.287 -168.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.53 -143.88 30.93 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.496 1.046 . . . . 0.0 114.14 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.35 -31.63 81.48 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.553 2.835 . . . . 0.0 114.05 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.61 16.88 16.46 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.832 1.253 . . . . 0.0 113.774 -166.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.15 121.75 6.61 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.155 0.888 . . . . 0.0 112.445 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.76 -6.3 83.11 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 125.463 1.506 . . . . 0.0 115.837 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.5 mt -82.68 151.21 64.34 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 119.733 1.766 . . . . 0.0 111.559 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -61.22 148.67 92.25 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.22 2.613 . . . . 0.0 112.37 170.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.12 -45.67 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 118.998 -0.525 . . . . 0.0 112.353 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 p -114.52 169.31 9.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.63 1.172 . . . . 0.0 113.878 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -59.91 -37.92 80.82 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.379 1.072 . . . . 0.0 111.735 171.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 p -70.15 -38.3 75.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.758 0.823 . . . . 0.0 112.556 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -58.82 -46.91 86.55 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.976 1.262 . . . . 0.0 111.032 170.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.69 -44.14 93.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.802 0.841 . . . . 0.0 112.663 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -63.9 -40.66 97.02 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.355 -0.841 . . . . 0.0 112.609 174.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.44 -36.05 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 121.371 -0.83 . . . . 0.0 110.827 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.09 -49.45 77.25 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.641 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.96 -43.46 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 119.19 0.904 . . . . 0.0 110.383 176.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.33 -51.99 65.42 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -60.34 -44.93 95.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.802 0.841 . . . . 0.0 112.364 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -62.26 -46.88 86.85 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.596 0.758 . . . . 0.0 111.435 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -60.03 -41.9 93.23 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 123.59 0.756 . . . . 0.0 112.197 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.97 -42.48 99.18 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.126 1.33 . . . . 0.0 112.647 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -68.55 -46.92 68.2 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.486 -0.759 . . . . 0.0 111.771 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -60.75 -36.21 78.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.832 0.853 . . . . 0.0 111.452 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.34 -40.83 85.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.827 1.651 . . . . 0.0 112.082 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -61.65 -33.37 73.84 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.523 0.601 . . . . 0.0 112.582 172.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.4 m -76.07 -41.89 49.12 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 170.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.6 99.32 6.32 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 127.066 2.146 . . . . 0.0 110.174 -167.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.82 -8.34 22.2 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.419 2.746 . . . . 0.0 115.946 -160.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -81.16 2.09 29.08 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.913 1.685 . . . . 0.0 114.943 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 122.75 17.84 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.21 1.004 . . . . 0.0 113.49 -166.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -87.27 145.95 26.15 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.771 1.228 . . . . 0.0 112.342 172.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.86 123.76 43.34 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.002 1.321 . . . . 0.0 111.174 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -140.24 129.66 24.02 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.556 1.143 . . . . 0.0 110.452 166.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -159.45 40.35 0.21 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.637 1.175 . . . . 0.0 113.235 -174.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.8 p -62.09 164.55 6.61 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.302 1.041 . . . . 0.0 112.299 167.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -57.16 -32.93 66.91 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.014 -1.054 . . . . 0.0 112.029 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -51.13 70.52 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.622 0.769 . . . . 0.0 110.803 169.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.6 91.29 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.995 0.816 . . . . 0.0 112.739 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.93 -51.49 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 118.951 0.796 . . . . 0.0 110.748 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -70.58 -26.15 63.4 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.088 1.313 . . . . 0.0 113.883 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -72.32 -45.0 61.85 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.242 1.017 . . . . 0.0 112.559 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -84.11 -30.93 25.56 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.98 0.912 . . . . 0.0 113.402 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -131.53 84.38 55.79 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.661 1.984 . . . . 0.0 110.223 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -69.43 -14.17 36.7 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.519 2.146 . . . . 0.0 114.058 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -72.4 -13.65 61.51 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.71 -23.33 60.84 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.339 0.972 . . . . 0.0 113.227 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.743 1.617 . . . . 0.0 112.324 -178.074 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.39 144.3 28.89 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.826 0.85 . . . . 0.0 111.667 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.2 mt -121.49 154.91 35.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.079 1.351 . . . . 0.0 110.968 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -70.69 136.55 49.11 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.915 -0.491 . . . . 0.0 109.913 164.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.9 -22.12 20.23 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.87 171.34 17.38 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.775 1.23 . . . . 0.0 113.197 -168.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.33 -142.74 33.21 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.051 0.834 . . . . 0.0 113.918 172.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.18 -30.88 75.05 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.5 2.8 . . . . 0.0 113.993 -172.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.05 16.26 16.05 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.688 1.195 . . . . 0.0 113.875 -164.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.38 121.65 6.64 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.152 0.887 . . . . 0.0 112.327 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.01 -4.15 86.26 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.126 1.346 . . . . 0.0 115.899 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.7 mt -84.62 150.37 56.41 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 119.648 1.724 . . . . 0.0 111.63 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -62.29 148.76 92.68 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.473 2.782 . . . . 0.0 112.654 172.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.1 t -83.89 -47.93 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 p -110.94 169.03 9.04 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.745 1.218 . . . . 0.0 113.451 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.9 mtm105 -58.42 -37.39 75.26 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.224 -0.923 . . . . 0.0 111.826 169.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -66.8 -39.58 87.79 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.506 0.723 . . . . 0.0 112.129 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -61.26 -47.27 86.79 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.205 0.911 . . . . 0.0 110.902 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.66 92.26 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.73 0.812 . . . . 0.0 112.562 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -61.06 -45.42 94.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.478 1.111 . . . . 0.0 112.52 174.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.08 -34.4 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 118.621 0.646 . . . . 0.0 110.874 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.43 -51.65 68.59 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 118.732 -0.651 . . . . 0.0 111.34 170.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' A' ' 101' ' ' MET . 68.8 mt -55.94 -47.19 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 118.575 0.625 . . . . 0.0 110.107 177.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -62.42 -56.78 14.94 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -71.28 -31.8 67.9 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.26 -50.72 72.52 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.769 -0.582 . . . . 0.0 110.318 167.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 48.4 t90 -57.37 -40.15 77.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.302 -0.856 . . . . 0.0 112.725 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.35 -46.91 85.38 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.303 1.41 . . . . 0.0 112.028 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -64.72 -46.17 83.45 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.44 -0.788 . . . . 0.0 111.351 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -62.42 -36.07 81.22 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.64 0.776 . . . . 0.0 110.972 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -69.99 -39.18 76.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.837 1.655 . . . . 0.0 112.49 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -63.82 -30.71 71.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.998 0.519 . . . . 0.0 112.184 171.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.8 t -77.1 -43.14 35.3 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 170.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -140.65 101.64 6.57 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 127.095 2.158 . . . . 0.0 110.52 -169.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.03 -9.36 24.47 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.42 2.747 . . . . 0.0 116.386 -159.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -84.46 3.55 35.75 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.049 1.739 . . . . 0.0 115.061 -176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 125.85 26.12 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -166.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -88.01 152.03 22.34 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.093 1.357 . . . . 0.0 112.593 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -127.74 129.88 47.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.977 1.311 . . . . 0.0 111.183 -173.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.22 118.2 13.37 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.258 1.423 . . . . 0.0 110.097 172.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.421 ' HB3' HG21 ' A' ' 83' ' ' ILE . 26.8 ptt? -150.88 42.73 0.79 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.0 p -65.86 163.12 17.55 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.58 0.752 . . . . 0.0 110.677 166.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -58.6 -33.71 70.3 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.744 -1.222 . . . . 0.0 111.862 174.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -64.24 -46.41 83.93 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.155 0.982 . . . . 0.0 111.802 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.51 91.34 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.823 0.738 . . . . 0.0 112.202 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.24 -48.14 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.513 1.125 . . . . 0.0 110.358 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -64.07 -37.42 87.39 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.877 1.217 . . . . 0.0 113.456 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -72.48 -36.71 68.51 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -79.59 -36.62 37.82 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.372 1.069 . . . . 0.0 112.446 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -132.45 88.78 38.3 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 126.185 1.794 . . . . 0.0 110.819 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -69.29 -18.34 39.29 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.445 2.097 . . . . 0.0 113.684 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -69.51 -11.5 60.88 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.99 -10.17 59.27 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 119.191 0.905 . . . . 0.0 112.502 173.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 126.014 1.725 . . . . 0.0 112.263 173.821 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.572 0 CA-C-O 120.243 0.068 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.12 137.44 34.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.344 0.658 . . . . 0.0 110.632 168.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.6 mt -120.38 152.91 37.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.974 1.31 . . . . 0.0 110.813 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -69.34 134.51 49.17 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.936 -0.478 . . . . 0.0 110.023 167.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.79 -24.08 20.44 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -151.82 169.42 22.29 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.589 1.156 . . . . 0.0 112.418 -168.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.99 -142.83 30.15 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 124.49 1.043 . . . . 0.0 114.02 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -63.21 -30.99 74.82 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.479 2.786 . . . . 0.0 113.932 -171.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.43 16.09 15.67 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.821 1.248 . . . . 0.0 113.917 -165.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.06 122.21 7.23 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.161 0.892 . . . . 0.0 112.489 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.15 -7.43 80.61 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.485 1.516 . . . . 0.0 115.957 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.2 mt -81.81 150.78 66.52 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 119.731 1.766 . . . . 0.0 111.628 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -62.79 147.09 95.1 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.331 2.687 . . . . 0.0 112.208 171.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.2 t -81.16 -48.79 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.8 p -111.73 168.63 9.41 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.596 1.158 . . . . 0.0 113.597 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -52.85 -39.77 62.82 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.263 1.025 . . . . 0.0 111.841 168.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.0 m -66.69 -43.51 84.2 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.866 0.866 . . . . 0.0 111.701 175.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -60.36 -40.88 92.32 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.057 -1.027 . . . . 0.0 111.756 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.58 91.92 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.086 0.955 . . . . 0.0 112.522 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -55.05 -45.19 75.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.258 1.023 . . . . 0.0 111.816 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.9 t -72.45 -38.43 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.394 0.678 . . . . 0.0 110.577 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -51.46 69.36 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.488 0.715 . . . . 0.0 111.825 172.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -55.74 -46.83 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.348 0.659 . . . . 0.0 110.285 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -63.21 -53.79 47.55 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -71.73 -33.47 68.74 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.018 -1.051 . . . . 0.0 113.307 -175.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.1 -44.01 95.14 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.875 -0.516 . . . . 0.0 111.101 167.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -62.32 -40.38 96.14 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.84 171.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.89 -44.0 91.07 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 121.139 1.79 . . . . 0.0 111.643 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.67 -50.0 66.56 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.535 -1.353 . . . . 0.0 112.032 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -61.39 -35.72 78.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.973 0.909 . . . . 0.0 112.25 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -68.2 -42.69 79.51 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.147 1.779 . . . . 0.0 111.725 174.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -63.07 -29.9 71.17 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.9 m -76.71 -43.38 37.71 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 168.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -138.61 102.9 7.78 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.861 2.064 . . . . 0.0 110.462 -169.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -72.32 -11.69 26.92 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.256 2.638 . . . . 0.0 115.648 -161.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -79.08 -3.47 45.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.531 1.532 . . . . 0.0 114.849 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 118.23 6.28 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -165.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 126.17 34.41 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.289 1.035 . . . . 0.0 110.77 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -95.72 124.5 39.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.657 1.583 . . . . 0.0 111.619 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -128.31 128.82 45.31 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.572 1.549 . . . . 0.0 109.303 163.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -152.73 44.72 0.68 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.89 0.852 . . . . 0.0 113.048 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.5 m -59.52 150.34 27.22 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.512 0.725 . . . . 0.0 110.856 168.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -60.11 -34.77 73.96 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.974 -1.079 . . . . 0.0 112.52 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -62.77 -42.67 99.79 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.695 0.798 . . . . 0.0 111.507 172.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.7 91.92 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.892 0.769 . . . . 0.0 112.108 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 98.5 mt -59.42 -51.47 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.103 0.961 . . . . 0.0 110.057 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -69.96 -29.68 66.86 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -77.02 -40.3 47.04 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.559 1.072 . . . . 0.0 112.993 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -77.16 -36.85 54.83 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.113 0.965 . . . . 0.0 112.135 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -125.99 85.59 59.22 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.595 1.558 . . . . 0.0 110.664 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -68.36 -17.73 44.26 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.447 2.098 . . . . 0.0 113.713 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -67.98 -12.92 61.67 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.77 -10.42 58.3 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.086 0.857 . . . . 0.0 112.854 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.846 1.658 . . . . 0.0 112.147 170.48 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.372 0.13 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.25 142.33 31.21 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.581 0.753 . . . . 0.0 110.743 167.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.6 mt -121.58 153.53 37.92 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.911 1.284 . . . . 0.0 111.158 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.54 135.96 47.29 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.992 -0.442 . . . . 0.0 110.049 165.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.57 -22.48 20.31 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -151.02 171.36 17.43 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.727 1.211 . . . . 0.0 113.313 -168.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.63 -142.89 33.03 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 124.046 0.832 . . . . 0.0 114.106 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.95 -30.33 76.68 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.516 2.811 . . . . 0.0 113.916 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -116.34 15.81 15.78 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.755 1.222 . . . . 0.0 113.874 -165.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.64 122.41 8.06 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 119.337 0.971 . . . . 0.0 112.465 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.92 -6.58 80.63 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.349 1.452 . . . . 0.0 115.773 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.7 mt -80.81 150.37 69.18 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-N 119.653 1.727 . . . . 0.0 111.637 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -61.88 147.46 95.17 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.351 2.7 . . . . 0.0 112.239 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.71 -47.34 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 121.846 -0.534 . . . . 0.0 112.431 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -111.32 167.62 10.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 113.45 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -57.74 -37.23 73.25 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.265 -0.897 . . . . 0.0 111.591 171.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.3 m -65.43 -44.64 86.71 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.113 0.965 . . . . 0.0 111.684 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -58.2 -43.06 87.44 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.584 1.084 . . . . 0.0 111.646 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.33 99.08 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -62.71 -39.91 95.5 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.313 -0.867 . . . . 0.0 112.213 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.27 -41.02 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.165 0.986 . . . . 0.0 110.195 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.8 -50.71 72.34 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.735 174.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.82 -46.02 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 118.42 0.555 . . . . 0.0 110.386 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -65.48 -54.27 30.75 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -58.72 -45.76 88.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.448 0.699 . . . . 0.0 112.236 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.48 -51.72 67.5 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.933 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -53.63 -42.88 68.23 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.753 1.161 . . . . 0.0 112.374 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -61.91 -43.47 98.77 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.785 1.175 . . . . 0.0 111.529 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.09 -41.88 81.19 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 121.075 -1.015 . . . . 0.0 113.062 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? -60.49 -35.67 76.48 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.772 -1.205 . . . . 0.0 110.96 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -70.27 -37.59 74.92 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.263 1.425 . . . . 0.0 111.963 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -61.89 -35.26 77.81 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.352 0.524 . . . . 0.0 111.813 169.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -73.26 -43.38 61.19 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 171.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -138.95 104.34 7.4 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.808 2.043 . . . . 0.0 110.454 -171.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.38 -18.62 44.05 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.22 2.613 . . . . 0.0 116.014 -158.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.7 p90 -81.98 -3.1 53.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.63 1.972 . . . . 0.0 115.39 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 124.91 18.07 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.434 1.093 . . . . 0.0 113.638 -164.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.6 mtm180 -90.3 144.27 25.99 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.638 1.175 . . . . 0.0 112.869 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -119.95 129.44 54.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.198 1.399 . . . . 0.0 111.222 -170.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -138.65 114.9 10.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.18 1.392 . . . . 0.0 110.837 174.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -150.45 43.79 0.85 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 t -53.57 152.24 5.21 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.907 0.883 . . . . 0.0 110.992 160.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -54.8 -35.1 63.5 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.079 -1.013 . . . . 0.0 112.388 171.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -64.83 -38.71 91.9 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.384 0.674 . . . . 0.0 111.884 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.32 79.87 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.394 0.678 . . . . 0.0 112.118 174.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.1 mm -59.2 -51.73 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 119.293 0.951 . . . . 0.0 110.233 170.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.36 -28.68 67.33 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -75.3 -40.67 58.31 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.304 0.956 . . . . 0.0 113.106 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -78.52 -34.13 47.48 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.126 0.971 . . . . 0.0 112.763 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -133.21 91.65 27.16 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.356 1.863 . . . . 0.0 110.17 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.45 -15.16 31.08 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.576 2.184 . . . . 0.0 114.134 -174.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -74.67 -12.69 60.49 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.47 -24.56 60.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.364 0.984 . . . . 0.0 112.998 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.288 0 C-N-CA 124.753 1.221 . . . . 0.0 112.536 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.78 147.42 23.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.015 1.326 . . . . 0.0 111.805 172.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.6 mt -123.11 155.73 36.38 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.132 1.373 . . . . 0.0 111.298 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -70.71 136.97 49.34 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.965 -0.46 . . . . 0.0 109.888 164.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.55 -22.71 19.37 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -151.39 168.35 25.1 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.456 1.102 . . . . 0.0 112.493 -168.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.22 -143.16 31.51 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 124.672 1.13 . . . . 0.0 114.027 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.08 -31.99 83.51 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.541 2.827 . . . . 0.0 113.936 -171.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -115.31 16.24 16.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.711 1.204 . . . . 0.0 113.796 -165.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.45 122.05 7.32 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.156 0.889 . . . . 0.0 112.228 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.61 -3.69 86.81 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 125.201 1.381 . . . . 0.0 115.827 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.4 mt -85.44 150.99 55.44 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 119.65 1.725 . . . . 0.0 111.596 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -63.45 149.13 91.92 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.493 2.795 . . . . 0.0 112.588 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.7 t -84.36 -46.43 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 p -112.02 169.48 8.82 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.734 1.214 . . . . 0.0 113.457 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -53.91 -42.16 68.43 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 121.297 -0.877 . . . . 0.0 111.895 167.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.6 m -65.94 -39.78 90.79 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.677 0.791 . . . . 0.0 111.855 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.89 -47.25 87.25 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.088 0.858 . . . . 0.0 111.203 172.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.8 98.09 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.717 0.807 . . . . 0.0 112.544 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -61.7 -42.56 99.1 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.469 1.108 . . . . 0.0 112.013 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.09 -33.2 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.852 0.861 . . . . 0.0 111.319 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.51 -49.1 78.08 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.82 0.736 . . . . 0.0 111.415 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.2 mt -56.19 -46.07 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 122.924 0.49 . . . . 0.0 110.42 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -62.61 -53.62 51.86 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -62.22 -42.86 99.69 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.738 0.699 . . . . 0.0 112.253 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.47 -46.24 89.4 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.035 0.534 . . . . 0.0 111.648 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.37 -44.88 89.05 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 118.688 -0.672 . . . . 0.0 112.21 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.84 -44.19 90.6 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.799 1.182 . . . . 0.0 111.746 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.65 -46.84 80.79 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.289 -0.882 . . . . 0.0 111.889 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -62.98 -28.86 70.38 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 117.62 -1.181 . . . . 0.0 112.245 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.32 -37.01 71.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.696 1.589 . . . . 0.0 111.751 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -62.0 -33.28 74.04 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.603 0.638 . . . . 0.0 111.836 168.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -75.64 -37.84 59.37 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 169.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -143.41 95.97 5.85 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 127.005 2.122 . . . . 0.0 110.623 -167.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.18 -9.81 27.32 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.179 2.586 . . . . 0.0 115.91 -163.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 11.0 p90 -82.68 -1.4 51.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.001 1.72 . . . . 0.0 115.106 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.68 123.74 18.33 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.297 1.039 . . . . 0.0 113.552 -167.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.75 151.79 25.03 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.541 1.136 . . . . 0.0 112.586 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -130.38 123.3 29.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.789 1.236 . . . . 0.0 110.346 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -137.05 119.99 16.42 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.728 1.211 . . . . 0.0 110.317 171.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -149.66 41.24 0.85 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.5 t -66.03 159.92 24.87 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.475 0.71 . . . . 0.0 111.039 163.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -57.33 -33.01 67.29 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.81 -1.182 . . . . 0.0 113.32 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -62.34 -39.92 94.67 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.562 0.745 . . . . 0.0 111.74 172.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.8 76.15 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.673 -0.642 . . . . 0.0 111.922 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.12 -51.46 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.202 0.91 . . . . 0.0 110.502 171.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -67.3 -34.22 76.93 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -73.75 -34.16 64.62 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -83.42 -33.96 25.6 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.016 0.927 . . . . 0.0 113.002 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -133.85 89.47 29.83 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 126.576 1.95 . . . . 0.0 110.463 -178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -70.32 -18.36 34.43 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.348 2.032 . . . . 0.0 113.802 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -70.09 -10.64 59.41 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.34 -9.48 58.2 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.177 0.898 . . . . 0.0 112.405 173.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 . . . . . 0 C--O 1.255 1.352 0 C-N-CA 125.758 1.623 . . . . 0.0 111.917 167.535 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 120.429 0.157 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.71 143.2 28.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.919 0.888 . . . . 0.0 111.342 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.5 mt -122.55 155.25 36.66 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.026 1.331 . . . . 0.0 111.041 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -70.96 137.47 49.19 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 122.002 -0.436 . . . . 0.0 109.88 164.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.54 -22.44 18.83 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -151.26 167.94 26.28 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.534 1.133 . . . . 0.0 112.649 -168.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.28 -141.27 29.74 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.641 1.115 . . . . 0.0 114.048 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.64 -31.41 79.35 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.561 2.84 . . . . 0.0 113.956 -171.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.88 15.22 16.31 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.677 1.191 . . . . 0.0 113.907 -165.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.1 121.96 7.69 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.193 0.906 . . . . 0.0 112.294 -176.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.06 -4.61 85.75 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 125.209 1.385 . . . . 0.0 115.871 -176.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.95 149.79 60.23 Favored Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 119.654 1.727 . . . . 0.0 111.619 173.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -63.45 147.33 93.38 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.363 2.708 . . . . 0.0 112.276 173.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.62 -48.68 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 118.344 0.52 . . . . 0.0 112.384 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.5 p -110.24 169.12 8.94 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.507 1.123 . . . . 0.0 113.758 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -57.52 -37.02 72.35 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 121.487 -0.758 . . . . 0.0 111.826 169.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 m -66.58 -41.81 87.95 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.155 0.982 . . . . 0.0 111.761 174.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -61.35 -44.04 97.86 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.028 0.831 . . . . 0.0 111.301 173.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.23 97.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.658 0.783 . . . . 0.0 112.484 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 50.8 ttm-85 -59.82 -44.16 94.17 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.344 1.057 . . . . 0.0 112.173 173.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.74 -37.07 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.558 0.743 . . . . 0.0 110.813 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.07 -50.76 71.99 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.557 0.617 . . . . 0.0 111.676 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.15 -43.46 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 118.517 0.599 . . . . 0.0 109.969 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -62.28 -50.35 72.05 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -64.06 -43.98 93.81 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.356 -0.84 . . . . 0.0 112.003 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.76 -45.51 92.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.997 0.919 . . . . 0.0 111.592 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.8 t90 -56.79 -51.0 70.65 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.608 0.763 . . . . 0.0 111.871 171.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -63.85 -41.57 97.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.443 1.02 . . . . 0.0 111.954 -174.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.06 -49.45 75.94 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.351 -0.843 . . . . 0.0 111.69 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -65.47 -24.86 67.26 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.214 -0.929 . . . . 0.0 112.323 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -74.76 -35.84 62.58 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.122 1.369 . . . . 0.0 112.339 173.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.9 mmt85 -63.13 -33.43 75.44 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.537 0.608 . . . . 0.0 111.44 167.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.6 m -73.78 -42.89 60.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 169.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -143.34 102.97 5.08 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.709 2.004 . . . . 0.0 110.713 -169.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.87 -10.27 26.02 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.31 2.673 . . . . 0.0 116.399 -159.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.4 p90 -84.45 0.31 50.06 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.057 1.743 . . . . 0.0 115.245 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.0 126.29 26.85 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.495 1.118 . . . . 0.0 113.508 -167.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -74.74 153.89 38.62 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.362 1.065 . . . . 0.0 113.07 170.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -126.66 98.63 5.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.864 1.265 . . . . 0.0 109.824 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -122.77 94.15 4.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.773 1.229 . . . . 0.0 110.224 -171.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -144.26 57.21 1.32 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.123 0.969 . . . . 0.0 112.818 -172.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.7 p -60.92 164.75 4.61 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.144 -0.972 . . . . 0.0 111.083 163.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.7 -38.69 75.65 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.6 -1.312 . . . . 0.0 111.374 173.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.87 -46.16 90.19 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.581 1.152 . . . . 0.0 111.618 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.33 89.74 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.603 0.638 . . . . 0.0 112.339 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.05 -44.94 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.642 1.11 . . . . 0.0 110.383 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -67.96 -31.94 72.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.572 1.078 . . . . 0.0 113.682 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -75.94 -38.74 57.27 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.922 -1.111 . . . . 0.0 113.136 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -70.61 -39.59 73.67 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.806 1.242 . . . . 0.0 111.675 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -136.02 90.83 18.05 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 126.036 1.734 . . . . 0.0 110.665 -174.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.31 -18.97 38.87 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.531 2.154 . . . . 0.0 113.884 -176.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -70.4 -10.41 59.0 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.91 -10.1 59.01 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.355 0.979 . . . . 0.0 112.45 172.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 . . . . . 0 C--O 1.257 1.458 0 C-N-CA 125.617 1.567 . . . . 0.0 111.524 164.353 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.79 139.96 34.49 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.56 0.744 . . . . 0.0 110.827 170.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.5 mt -120.51 151.86 38.8 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.781 1.232 . . . . 0.0 111.118 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -69.09 137.06 53.19 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.026 0.531 . . . . 0.0 110.322 168.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.37 -22.26 19.04 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -151.69 168.54 24.68 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.406 1.082 . . . . 0.0 112.59 -167.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.31 -143.98 32.53 Favored Glycine 0 CA--C 1.543 1.807 0 C-N-CA 124.609 1.099 . . . . 0.0 114.177 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -62.52 -30.43 79.68 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.532 2.822 . . . . 0.0 113.977 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -115.65 14.88 16.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.737 1.215 . . . . 0.0 113.915 -165.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.21 122.83 8.32 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.4 1.0 . . . . 0.0 112.45 -177.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.48 -7.78 77.57 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.436 1.493 . . . . 0.0 115.854 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.8 mt -80.83 151.79 71.24 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 119.682 1.741 . . . . 0.0 111.524 173.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -61.68 146.69 96.57 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.2 2.6 . . . . 0.0 112.274 170.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 t -80.12 -49.36 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 119.002 -0.523 . . . . 0.0 112.235 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.5 p -110.43 168.68 9.27 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.49 1.116 . . . . 0.0 113.543 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -55.32 -39.5 70.04 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.564 1.145 . . . . 0.0 112.021 169.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.3 m -67.2 -41.29 86.05 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.971 0.909 . . . . 0.0 112.024 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -60.94 -43.73 98.24 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.25 -0.907 . . . . 0.0 111.395 173.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.32 97.55 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.845 0.858 . . . . 0.0 112.42 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -59.43 -42.95 93.07 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.185 0.994 . . . . 0.0 111.991 172.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.9 t -74.75 -30.63 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.206 -0.934 . . . . 0.0 111.249 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -49.41 76.08 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.051 0.94 . . . . 0.0 111.987 169.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.62 -44.41 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 122.784 0.434 . . . . 0.0 110.104 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.75 -51.23 67.93 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -60.21 -45.45 93.13 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.398 -0.814 . . . . 0.0 112.646 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.43 -52.43 65.26 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.65 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -53.78 -44.2 69.88 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.477 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.7 -47.14 85.55 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 120.13 1.332 . . . . 0.0 112.012 174.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.46 -48.7 80.6 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.627 1.103 . . . . 0.0 111.755 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -62.16 -32.34 72.95 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.622 0.769 . . . . 0.0 111.681 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -75.34 -36.06 61.09 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.701 1.137 . . . . 0.0 112.035 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -69.67 -26.52 64.43 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.496 1.118 . . . . 0.0 111.851 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.0 p -87.38 -34.88 18.63 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 166.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -135.25 100.76 11.46 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 126.483 1.913 . . . . 0.0 111.218 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.26 -19.72 49.92 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.802 3.002 . . . . 0.0 116.45 -156.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.0 p90 -76.49 -4.47 42.79 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.456 1.902 . . . . 0.0 115.466 -174.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 120.21 7.98 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -164.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -85.18 138.38 32.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.493 1.517 . . . . 0.0 112.64 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -110.26 127.81 55.19 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.372 1.469 . . . . 0.0 111.362 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -138.91 122.82 17.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.634 1.574 . . . . 0.0 109.568 163.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -148.69 39.24 0.86 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.6 t -64.64 160.45 19.75 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.775 0.83 . . . . 0.0 111.317 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -59.92 -34.41 73.18 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.805 -1.185 . . . . 0.0 113.256 -171.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -64.96 -39.36 93.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.544 -0.722 . . . . 0.0 111.857 171.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.16 79.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.784 0.72 . . . . 0.0 111.967 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.7 mm -59.12 -54.1 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 118.956 0.798 . . . . 0.0 110.473 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -67.46 -30.21 69.86 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -75.37 -37.72 60.42 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.327 -0.858 . . . . 0.0 113.041 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -79.24 -37.38 38.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.043 0.937 . . . . 0.0 112.541 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.95 91.23 40.32 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 126.625 1.97 . . . . 0.0 110.263 -177.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.71 -15.53 30.18 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.522 2.148 . . . . 0.0 114.043 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -74.25 -11.58 60.32 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.56 -20.73 59.83 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.308 0.958 . . . . 0.0 112.838 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.363 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.411 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.534 0 CA-C-O 120.336 0.112 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.3 137.68 33.32 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.711 0.805 . . . . 0.0 110.602 168.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.4 mt -120.5 152.73 37.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.95 1.3 . . . . 0.0 110.728 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -69.11 135.12 50.25 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.937 -0.477 . . . . 0.0 110.092 167.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.19 -23.54 20.19 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -151.77 169.01 23.26 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.56 1.144 . . . . 0.0 112.359 -168.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.79 -143.05 30.67 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 124.621 1.105 . . . . 0.0 114.017 172.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.71 -31.63 78.79 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.487 2.792 . . . . 0.0 113.98 -171.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -115.87 16.31 16.24 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.793 1.237 . . . . 0.0 113.807 -165.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.98 122.17 7.11 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 119.32 0.964 . . . . 0.0 112.491 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.67 -7.15 80.74 Favored Glycine 0 CA--C 1.542 1.728 0 C-N-CA 125.529 1.538 . . . . 0.0 115.827 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.18 151.34 66.24 Favored Pre-proline 0 CA--C 1.547 0.842 0 CA-C-N 119.686 1.743 . . . . 0.0 111.62 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.35 147.83 93.29 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.249 2.633 . . . . 0.0 112.376 172.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.17 -50.67 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -108.1 169.32 8.7 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.597 1.159 . . . . 0.0 113.253 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -56.61 -37.62 70.93 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.099 -1.0 . . . . 0.0 111.761 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.3 m -67.38 -41.22 85.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.678 0.791 . . . . 0.0 111.968 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -61.2 -41.85 97.56 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.364 0.984 . . . . 0.0 111.5 173.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.37 -44.45 94.72 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.033 0.933 . . . . 0.0 112.445 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -56.47 -44.99 81.11 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.068 0.947 . . . . 0.0 111.511 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -73.49 -36.03 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.731 0.812 . . . . 0.0 110.779 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -50.77 72.2 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.63 0.65 . . . . 0.0 111.877 171.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.8 mt -57.48 -46.31 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.071 0.549 . . . . 0.0 110.134 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -64.23 -50.3 68.54 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -63.87 -43.21 96.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.437 0.695 . . . . 0.0 111.999 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.29 -44.79 95.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.837 0.455 . . . . 0.0 111.624 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 50.5 t90 -60.17 -44.33 95.12 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.094 -0.955 . . . . 0.0 112.097 172.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.4 -42.93 92.92 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 120.638 1.563 . . . . 0.0 112.343 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.42 -50.22 64.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.224 0.61 . . . . 0.0 111.736 174.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -63.68 -32.76 74.35 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.069 -1.02 . . . . 0.0 112.326 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -74.74 -32.02 61.98 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.569 1.947 . . . . 0.0 112.19 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.2 mtt85 -63.96 -38.34 90.71 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 118.787 0.721 . . . . 0.0 112.361 164.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.7 m -74.01 -36.52 64.47 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -140.64 98.57 7.1 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 126.573 1.949 . . . . 0.0 110.269 -168.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -72.71 -9.81 24.31 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 123.077 2.518 . . . . 0.0 115.302 -164.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.5 p90 -78.3 -2.58 38.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.541 1.536 . . . . 0.0 114.809 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.3 146.79 18.35 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.749 1.219 . . . . 0.0 113.873 -170.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.25 143.22 50.67 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.508 1.523 . . . . 0.0 111.364 170.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -111.31 126.41 54.88 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.109 1.364 . . . . 0.0 110.977 -167.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -129.27 97.68 4.66 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.299 1.04 . . . . 0.0 111.13 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -148.69 40.56 0.91 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.4 p -58.5 163.83 2.94 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.48 -0.763 . . . . 0.0 110.655 157.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.4 -34.74 69.2 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.652 -1.28 . . . . 0.0 111.766 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -66.04 -45.12 82.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.718 0.807 . . . . 0.0 111.161 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.72 94.89 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.151 0.887 . . . . 0.0 112.329 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.96 -49.67 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.017 0.927 . . . . 0.0 110.378 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -69.08 -30.82 69.22 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.931 1.242 . . . . 0.0 113.804 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -70.74 -44.12 67.46 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.23 0.923 . . . . 0.0 112.532 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -75.68 -38.09 59.01 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.328 1.051 . . . . 0.0 112.431 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -129.88 88.63 48.44 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 126.127 1.771 . . . . 0.0 110.455 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -69.84 -17.88 36.97 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.391 2.061 . . . . 0.0 113.588 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -68.72 -12.06 60.99 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -178.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.49 -10.64 59.7 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.069 0.85 . . . . 0.0 112.681 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.795 1.638 . . . . 0.0 112.045 170.042 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.83 141.45 28.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.673 1.189 . . . . 0.0 111.349 171.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 mt -122.03 153.96 37.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.101 1.361 . . . . 0.0 110.723 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -69.55 136.9 51.93 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.959 -0.463 . . . . 0.0 110.18 167.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.51 -23.44 19.1 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -174.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -151.79 168.7 24.25 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.434 1.094 . . . . 0.0 112.56 -167.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.14 -141.88 29.73 Favored Glycine 0 CA--C 1.542 1.74 0 C-N-CA 124.629 1.109 . . . . 0.0 114.07 172.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.84 -31.26 77.95 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.51 2.807 . . . . 0.0 113.885 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -116.43 15.78 15.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.714 1.206 . . . . 0.0 113.917 -165.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.4 122.27 7.62 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.344 0.975 . . . . 0.0 112.451 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.26 -6.06 82.72 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.424 1.487 . . . . 0.0 115.846 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.1 mt -82.88 151.06 63.37 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 119.659 1.729 . . . . 0.0 111.733 174.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -63.64 149.39 91.02 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.538 2.825 . . . . 0.0 112.511 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.6 t -85.69 -48.05 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -109.28 170.07 8.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.837 1.255 . . . . 0.0 113.341 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -55.84 -40.09 72.34 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.164 -0.96 . . . . 0.0 111.499 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -70.07 -36.46 74.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.333 0.653 . . . . 0.0 112.743 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -61.14 -43.84 98.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.607 1.094 . . . . 0.0 111.172 170.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.16 94.14 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.093 0.957 . . . . 0.0 112.446 176.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -58.93 -44.61 91.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.341 1.056 . . . . 0.0 111.712 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.8 t -73.51 -33.76 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.642 -0.661 . . . . 0.0 110.847 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -50.94 72.13 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.936 0.789 . . . . 0.0 111.809 169.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.94 -46.97 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.029 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -62.12 -51.46 67.82 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -62.52 -43.61 98.4 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.317 0.647 . . . . 0.0 112.489 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.57 -44.69 93.37 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 122.075 -0.391 . . . . 0.0 111.793 175.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -59.26 -46.98 87.07 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.052 0.941 . . . . 0.0 111.986 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -61.48 -45.94 92.11 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.926 1.239 . . . . 0.0 111.869 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -49.47 77.33 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.193 0.906 . . . . 0.0 112.312 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -64.6 -30.47 71.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.099 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.51 -39.24 77.69 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.246 1.384 . . . . 0.0 111.939 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.2 mmm-85 -63.15 -31.99 73.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.779 0.832 . . . . 0.0 111.241 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.0 m -77.0 -40.13 47.82 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 168.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -141.93 98.01 6.35 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 126.739 2.016 . . . . 0.0 110.777 -168.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.11 -9.43 25.54 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.493 2.795 . . . . 0.0 116.518 -158.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -81.87 -1.96 49.46 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.754 1.622 . . . . 0.0 115.063 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.94 123.49 16.71 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.362 1.065 . . . . 0.0 113.525 -166.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -86.37 141.22 29.35 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.348 1.059 . . . . 0.0 112.489 175.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -107.02 126.22 52.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.009 1.324 . . . . 0.0 111.727 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -136.73 95.23 3.1 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.747 1.619 . . . . 0.0 110.305 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -148.63 44.5 1.02 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.5 p -62.98 166.43 5.77 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.313 -0.867 . . . . 0.0 110.899 162.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.88 -34.31 69.65 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.867 -1.146 . . . . 0.0 111.802 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -62.24 -52.01 65.44 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.704 0.802 . . . . 0.0 111.302 171.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.51 87.4 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.862 0.755 . . . . 0.0 112.29 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.58 -50.87 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.316 1.046 . . . . 0.0 110.69 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -68.4 -28.57 67.21 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.225 1.375 . . . . 0.0 113.719 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -76.47 -39.88 51.94 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.017 0.927 . . . . 0.0 113.116 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -79.64 -36.67 37.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.51 1.124 . . . . 0.0 112.575 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -127.14 84.95 62.16 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.499 1.92 . . . . 0.0 110.314 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.55 -18.81 48.89 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.341 2.027 . . . . 0.0 113.686 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -68.34 -12.23 60.76 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.49 -11.29 60.71 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.212 0.914 . . . . 0.0 112.357 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.89 1.676 . . . . 0.0 111.757 166.435 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 111.31 0.115 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.66 144.2 27.25 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.216 1.006 . . . . 0.0 111.398 170.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 mt -122.23 154.53 37.4 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.012 1.325 . . . . 0.0 111.369 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -70.39 137.51 50.55 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.728 0.411 . . . . 0.0 110.078 165.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.74 -24.52 17.79 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -175.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -145.79 169.48 18.45 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.175 1.39 . . . . 0.0 112.853 -169.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.99 -145.36 34.94 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 124.24 0.924 . . . . 0.0 114.21 171.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.08 -30.9 83.27 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.552 2.834 . . . . 0.0 113.963 -172.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -114.58 15.43 17.73 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.79 1.236 . . . . 0.0 113.884 -165.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.33 122.49 7.9 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.35 0.977 . . . . 0.0 112.225 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.78 -5.38 83.94 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.334 1.445 . . . . 0.0 115.88 -176.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.95 150.86 62.72 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 119.561 1.68 . . . . 0.0 111.622 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.29 146.41 93.7 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.287 2.658 . . . . 0.0 112.05 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.8 t -80.55 -50.06 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.847 -0.533 . . . . 0.0 112.345 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.7 p -109.13 170.35 8.11 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.538 1.135 . . . . 0.0 113.324 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -59.75 -34.22 72.68 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.103 -0.998 . . . . 0.0 111.975 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.8 t -66.69 -42.82 85.88 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.512 0.725 . . . . 0.0 111.428 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.03 -42.78 99.12 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 120.903 -1.123 . . . . 0.0 111.681 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.72 97.11 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.733 0.813 . . . . 0.0 112.591 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -57.56 -45.64 84.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.001 1.321 . . . . 0.0 111.959 171.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.15 -34.64 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.765 0.826 . . . . 0.0 110.842 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.51 -49.75 74.13 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.904 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.9 mt -55.51 -47.73 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 118.8 0.727 . . . . 0.0 109.954 176.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -64.58 -53.69 43.8 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -63.44 -41.9 98.66 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.812 0.733 . . . . 0.0 112.337 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.4 -45.81 85.99 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.209 0.604 . . . . 0.0 111.469 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -57.15 -47.18 81.79 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.304 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.39 -43.01 99.84 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 120.563 1.528 . . . . 0.0 112.266 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.83 -48.91 78.44 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.135 -0.978 . . . . 0.0 111.494 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -64.01 -28.27 69.69 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.718 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -80.21 -32.75 38.49 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.691 1.996 . . . . 0.0 112.469 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -64.51 -35.84 82.25 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.993 0.917 . . . . 0.0 111.147 165.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t -73.6 -42.54 61.4 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 172.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -136.66 102.54 9.46 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.669 1.988 . . . . 0.0 110.685 -171.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.9 -10.48 28.56 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.208 2.605 . . . . 0.0 115.68 -163.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 p90 -84.12 -3.34 58.04 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.888 1.675 . . . . 0.0 115.076 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 124.96 22.01 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.9 0.88 . . . . 0.0 113.218 -167.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -85.44 142.34 29.32 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.084 1.354 . . . . 0.0 112.575 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -125.48 125.55 43.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.291 1.436 . . . . 0.0 110.943 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -140.57 133.8 29.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.558 1.543 . . . . 0.0 110.496 172.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -162.35 72.99 0.37 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.655 1.182 . . . . 0.0 112.13 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.4 p -73.87 170.48 15.27 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.357 0.663 . . . . 0.0 110.856 157.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -59.2 -38.16 79.21 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.867 -1.146 . . . . 0.0 111.561 169.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -62.28 -42.77 99.63 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.964 0.906 . . . . 0.0 111.569 174.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.53 90.69 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.487 0.585 . . . . 0.0 112.132 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.89 -45.68 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.173 0.897 . . . . 0.0 110.474 173.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.7 -30.95 70.59 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.694 1.134 . . . . 0.0 114.008 175.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -76.28 -38.0 56.76 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.0 -1.063 . . . . 0.0 113.083 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -79.8 -32.69 40.8 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.907 1.283 . . . . 0.0 112.487 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -135.85 95.66 13.72 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 126.338 1.855 . . . . 0.0 110.357 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.3 -14.43 25.49 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.601 2.201 . . . . 0.0 114.626 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -76.94 -11.55 59.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.36 -25.83 61.68 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.459 1.027 . . . . 0.0 112.848 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.333 0 C-N-CA 124.558 1.143 . . . . 0.0 112.5 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.555 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.39 143.62 26.24 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.83 1.252 . . . . 0.0 111.002 163.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mp -127.41 152.62 47.29 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.791 1.236 . . . . 0.0 111.07 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -71.52 133.26 45.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.917 0.487 . . . . 0.0 110.171 169.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.64 -20.67 19.37 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -150.37 168.17 24.91 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.791 1.236 . . . . 0.0 112.374 -168.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.53 -144.62 33.13 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 124.554 1.073 . . . . 0.0 114.062 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.88 -30.82 77.62 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.5 2.8 . . . . 0.0 114.059 -171.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -115.53 15.66 16.64 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.818 1.247 . . . . 0.0 113.879 -165.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.72 122.17 7.73 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.049 0.84 . . . . 0.0 112.195 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.82 2.52 84.19 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.929 1.252 . . . . 0.0 115.888 -176.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 mt -92.39 153.31 42.79 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 119.475 1.637 . . . . 0.0 112.004 172.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -60.66 150.82 80.26 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.181 2.587 . . . . 0.0 111.853 167.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.45 -48.92 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 118.628 0.649 . . . . 0.0 112.274 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -111.32 169.54 8.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.824 1.25 . . . . 0.0 113.779 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -55.0 -41.0 70.73 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.914 0.886 . . . . 0.0 111.612 169.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.1 m -66.23 -40.94 90.62 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.755 0.822 . . . . 0.0 111.99 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -61.08 -44.62 97.09 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.151 0.887 . . . . 0.0 111.46 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.79 98.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.653 0.781 . . . . 0.0 112.071 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.4 ttm-85 -61.94 -42.74 99.46 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.188 0.995 . . . . 0.0 112.056 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.3 t -66.28 -42.98 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.252 1.021 . . . . 0.0 110.41 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.78 -46.59 84.52 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 118.87 -0.586 . . . . 0.0 111.7 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.8 mt -56.69 -48.13 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 118.369 0.531 . . . . 0.0 110.153 173.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.59 -53.04 57.95 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.23 -42.34 98.45 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.519 -0.738 . . . . 0.0 112.617 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.57 -42.43 82.6 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.922 -0.486 . . . . 0.0 111.858 178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -58.71 -47.99 82.66 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.56 0.744 . . . . 0.0 112.016 170.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -39.76 92.51 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.7 1.2 . . . . 0.0 112.43 -178.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -71.25 -43.94 66.25 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.269 -0.895 . . . . 0.0 112.393 175.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -61.19 -31.16 70.92 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.796 171.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -71.63 -36.49 70.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.143 1.377 . . . . 0.0 112.369 175.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 45.0 mtm105 -62.33 -33.69 75.18 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.521 0.6 . . . . 0.0 111.899 168.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 m -76.91 -39.37 51.1 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -144.04 100.36 4.97 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 127.013 2.125 . . . . 0.0 110.386 -167.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.52 -10.61 27.09 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.385 2.723 . . . . 0.0 116.278 -159.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -82.88 -0.25 47.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.914 1.686 . . . . 0.0 115.194 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 126.24 26.75 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -165.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -87.05 143.03 27.5 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.329 1.451 . . . . 0.0 112.339 175.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -117.37 129.51 55.91 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.002 1.321 . . . . 0.0 111.395 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -136.92 104.48 5.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.403 1.481 . . . . 0.0 110.591 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -149.03 34.84 0.74 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.6 m -58.81 152.37 19.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.239 0.616 . . . . 0.0 109.674 157.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.35 -33.28 74.4 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.405 -1.435 . . . . 0.0 112.796 -173.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.18 -41.7 93.46 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.367 -0.833 . . . . 0.0 111.906 170.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.76 84.82 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.327 0.651 . . . . 0.0 111.915 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.62 -47.62 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.658 0.783 . . . . 0.0 110.271 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -67.04 -30.63 70.76 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -77.18 -37.62 53.28 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.125 -0.985 . . . . 0.0 113.345 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -77.44 -34.97 54.45 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.348 1.059 . . . . 0.0 112.517 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -135.9 89.0 21.72 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 126.462 1.905 . . . . 0.0 110.297 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.8 -17.33 37.43 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.457 2.105 . . . . 0.0 114.003 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -69.94 -11.28 60.75 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.52 -9.18 57.8 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.195 0.907 . . . . 0.0 112.86 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.605 1.562 . . . . 0.0 111.948 168.499 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.53 0 CA-C-O 120.481 0.181 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.79 141.99 30.99 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.9 0.88 . . . . 0.0 111.03 172.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.7 mt -122.13 154.55 37.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.985 1.314 . . . . 0.0 111.023 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.69 135.27 48.19 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.948 -0.47 . . . . 0.0 109.865 164.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 -23.52 20.65 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.65 168.28 25.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.687 1.195 . . . . 0.0 112.445 -168.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.34 -142.21 29.98 Favored Glycine 0 CA--C 1.543 1.796 0 C-N-CA 124.639 1.114 . . . . 0.0 114.091 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.08 -31.9 83.54 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.515 2.81 . . . . 0.0 113.994 -171.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.73 16.22 16.38 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.717 1.207 . . . . 0.0 113.769 -166.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.77 121.97 7.45 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.202 0.91 . . . . 0.0 112.445 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.89 -5.41 83.98 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 125.313 1.435 . . . . 0.0 115.811 -176.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.1 mt -82.17 149.66 62.81 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 119.611 1.706 . . . . 0.0 111.7 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -63.93 147.22 92.05 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.477 2.785 . . . . 0.0 112.273 173.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.9 t -82.35 -48.75 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 112.476 0.546 . . . . 0.0 112.476 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -109.32 169.21 8.84 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.636 1.174 . . . . 0.0 113.677 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -55.21 -40.47 70.82 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.031 0.932 . . . . 0.0 111.822 169.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.2 m -67.16 -40.14 86.61 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 118.517 -0.754 . . . . 0.0 112.427 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -60.45 -43.19 97.11 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.108 1.322 . . . . 0.0 111.279 173.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.71 93.62 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.765 0.826 . . . . 0.0 112.566 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.8 ttp-105 -59.99 -43.57 95.07 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.992 0.917 . . . . 0.0 111.961 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.6 t -71.29 -35.04 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.11 0.964 . . . . 0.0 110.681 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.7 -51.91 66.48 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.757 0.708 . . . . 0.0 111.708 170.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.4 mt -55.61 -46.84 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.247 0.476 . . . . 0.0 109.966 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.98 -55.07 21.24 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -63.56 -41.64 98.4 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.151 0.887 . . . . 0.0 112.425 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -62.23 -49.12 77.0 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.817 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -55.04 -45.04 75.19 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 117.953 -1.022 . . . . 0.0 111.808 172.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.38 -44.05 97.82 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 120.486 1.494 . . . . 0.0 111.559 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.27 -47.99 80.07 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.468 -0.77 . . . . 0.0 112.175 172.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -63.58 -29.63 70.86 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.587 0.755 . . . . 0.0 111.948 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -76.86 -33.11 57.88 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.187 2.195 . . . . 0.0 111.441 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.1 ttt-85 -64.26 -39.94 94.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.438 1.095 . . . . 0.0 112.33 168.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.6 p -83.08 -33.14 26.46 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -134.45 100.77 12.39 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.569 1.948 . . . . 0.0 110.576 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.89 -10.27 27.32 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 123.322 2.681 . . . . 0.0 115.794 -161.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -82.77 -4.07 57.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.548 1.539 . . . . 0.0 114.862 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 119.38 8.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.004 0.82 . . . . 0.0 112.887 -167.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -86.59 138.8 31.4 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.127 0.971 . . . . 0.0 112.278 175.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.27 125.5 53.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.6 1.56 . . . . 0.0 110.613 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -140.44 124.39 17.39 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.247 1.419 . . . . 0.0 108.726 169.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -154.85 55.66 0.67 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.4 p -59.27 164.5 3.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.455 0.702 . . . . 0.0 112.298 162.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.98 -36.3 70.18 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.109 -0.994 . . . . 0.0 111.779 168.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -61.45 -45.94 92.16 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.296 0.638 . . . . 0.0 110.919 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.83 95.58 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.811 0.732 . . . . 0.0 112.175 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.0 mt -62.15 -49.0 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.218 1.007 . . . . 0.0 110.576 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -66.68 -34.91 78.92 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.778 1.172 . . . . 0.0 113.581 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -72.21 -37.73 69.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.918 0.887 . . . . 0.0 112.732 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -79.24 -38.12 36.39 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.097 0.959 . . . . 0.0 112.462 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -128.84 91.66 42.35 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 126.281 1.832 . . . . 0.0 110.529 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -69.77 -18.55 36.88 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 122.537 2.158 . . . . 0.0 113.967 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -71.04 -10.82 60.41 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.91 -10.91 60.13 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.129 0.877 . . . . 0.0 112.708 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.343 1.457 . . . . 0.0 112.041 170.305 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 120.356 0.122 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.87 140.26 29.83 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.886 0.874 . . . . 0.0 110.872 168.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.9 mt -121.99 152.38 39.79 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.814 1.246 . . . . 0.0 110.924 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -68.58 138.35 55.02 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.853 -0.53 . . . . 0.0 110.307 168.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.54 -24.68 17.15 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -146.03 169.44 18.65 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.01 1.324 . . . . 0.0 112.845 -168.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.39 -144.09 33.85 Favored Glycine 0 CA--C 1.542 1.774 0 C-N-CA 124.178 0.894 . . . . 0.0 114.165 171.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.74 -30.1 77.87 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.515 2.81 . . . . 0.0 113.901 -172.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.46 14.62 16.7 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.655 1.182 . . . . 0.0 113.9 -164.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.56 122.69 8.43 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 119.518 1.053 . . . . 0.0 112.4 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.33 -6.71 81.24 Favored Glycine 0 CA--C 1.541 1.656 0 C-N-CA 125.405 1.478 . . . . 0.0 115.858 -175.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.4 mt -81.6 151.17 67.97 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 119.61 1.705 . . . . 0.0 111.566 173.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -62.92 145.97 94.69 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.269 2.646 . . . . 0.0 112.345 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.5 t -81.65 -52.37 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 119.175 -0.44 . . . . 0.0 112.131 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 p -104.13 169.73 8.32 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.474 1.109 . . . . 0.0 113.305 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.23 -35.63 80.98 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.1 -1.0 . . . . 0.0 111.436 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -66.45 -41.3 89.32 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.456 169.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -59.52 -40.95 88.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 120.17 1.35 . . . . 0.0 111.507 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.89 88.56 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.962 0.905 . . . . 0.0 112.579 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.0 ttp-105 -60.02 -41.29 91.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.986 0.914 . . . . 0.0 112.147 173.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.01 -37.31 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.446 1.098 . . . . 0.0 110.365 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.77 -50.3 74.36 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.605 0.639 . . . . 0.0 111.542 171.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.477 HG21 ' HB3' ' A' ' 101' ' ' MET . 65.2 mt -55.98 -49.28 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.131 0.572 . . . . 0.0 110.308 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.87 -51.66 63.6 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -60.82 -44.71 96.54 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.464 0.706 . . . . 0.0 112.516 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.82 -45.63 93.02 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.859 0.464 . . . . 0.0 111.899 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 48.9 t90 -58.96 -48.01 83.05 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.443 0.697 . . . . 0.0 111.823 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -70.34 -34.1 72.26 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.978 1.263 . . . . 0.0 112.859 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.42 -49.72 65.83 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.596 -1.315 . . . . 0.0 111.197 171.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -66.85 -23.25 66.0 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.909 -1.043 . . . . 0.0 112.347 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -70.76 -38.8 73.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.236 1.38 . . . . 0.0 112.011 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -60.08 -37.16 79.09 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 118.751 0.705 . . . . 0.0 111.771 167.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.4 m -71.51 -41.32 69.37 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -145.01 104.06 4.44 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 127.055 2.142 . . . . 0.0 110.36 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.78 -9.86 25.52 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 123.235 2.623 . . . . 0.0 116.109 -160.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.1 p90 -85.99 4.63 36.95 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.123 1.769 . . . . 0.0 115.193 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 126.13 26.31 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.069 0.948 . . . . 0.0 113.441 -165.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.71 147.8 31.79 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.793 1.637 . . . . 0.0 112.227 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -125.01 126.93 46.2 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.558 1.143 . . . . 0.0 111.814 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -137.23 109.83 7.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.454 1.502 . . . . 0.0 110.222 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.477 ' HB3' HG21 ' A' ' 83' ' ' ILE . 26.2 ptt? -148.16 29.55 0.88 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -177.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.8 m -66.09 160.48 23.82 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.605 -0.684 . . . . 0.0 110.5 166.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -53.17 -41.08 64.84 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.062 -1.024 . . . . 0.0 113.256 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -33.93 74.92 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.335 -0.853 . . . . 0.0 112.514 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.64 81.61 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.612 0.642 . . . . 0.0 111.6 172.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.22 -49.0 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.819 0.848 . . . . 0.0 110.145 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -66.62 -34.74 78.54 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -73.4 -36.48 66.02 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -44.13 31.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.187 0.995 . . . . 0.0 111.028 174.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -125.81 89.61 52.07 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 126.063 1.745 . . . . 0.0 110.841 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.77 -16.81 33.29 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.476 2.117 . . . . 0.0 113.904 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -68.92 -10.76 58.92 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.8 -3.47 28.83 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.123 0.969 . . . . 0.0 112.976 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.944 1.698 . . . . 0.0 111.741 167.488 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 120.411 0.148 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.68 144.01 28.06 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.153 0.981 . . . . 0.0 111.659 175.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.2 mt -121.65 154.57 36.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.285 1.434 . . . . 0.0 110.632 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -69.92 135.62 49.69 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.804 -0.56 . . . . 0.0 109.796 164.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.7 -23.78 20.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -174.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.73 168.5 24.85 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.566 1.146 . . . . 0.0 112.53 -168.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.26 -141.72 29.36 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.372 0.986 . . . . 0.0 114.17 173.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -62.89 -31.9 77.28 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.366 2.71 . . . . 0.0 113.742 -171.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -115.59 16.37 16.52 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -166.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.36 121.68 6.67 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.102 0.865 . . . . 0.0 112.463 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.86 -4.07 86.33 Favored Glycine 0 CA--C 1.542 1.738 0 C-N-CA 125.121 1.343 . . . . 0.0 116.083 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.4 mt -84.59 150.04 55.75 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 119.541 1.671 . . . . 0.0 111.572 173.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -62.78 148.39 93.47 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.457 2.771 . . . . 0.0 112.552 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.1 t -84.75 -48.7 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.403 -177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -109.37 169.17 8.87 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.846 1.259 . . . . 0.0 112.847 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -61.83 -35.96 79.77 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.879 -1.138 . . . . 0.0 111.508 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -65.07 -39.3 93.04 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.508 0.723 . . . . 0.0 111.899 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.14 -48.08 83.24 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.532 1.06 . . . . 0.0 110.968 172.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.43 -43.29 93.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.442 0.697 . . . . 0.0 112.66 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -60.83 -44.11 97.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.843 1.257 . . . . 0.0 112.279 174.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.0 t -71.58 -35.51 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.734 0.814 . . . . 0.0 110.907 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.68 -48.49 81.54 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.679 0.672 . . . . 0.0 111.355 170.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' A' ' 101' ' ' MET . 67.5 mt -56.67 -48.9 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.438 0.563 . . . . 0.0 110.305 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -62.57 -51.56 66.87 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -62.37 -45.13 94.55 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.274 0.629 . . . . 0.0 111.976 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.76 -44.94 94.89 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.878 -0.514 . . . . 0.0 111.831 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -58.26 -46.81 85.3 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.059 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -64.37 -44.15 92.27 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.801 1.182 . . . . 0.0 111.946 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -64.15 -47.51 79.61 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.299 -0.876 . . . . 0.0 111.934 174.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -65.99 -26.11 67.39 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 117.535 -1.221 . . . . 0.0 112.227 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.41 -36.2 71.26 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.825 1.648 . . . . 0.0 111.886 172.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -62.34 -35.41 79.02 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.783 0.719 . . . . 0.0 111.712 168.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.0 m -73.88 -39.67 63.74 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -143.56 96.74 5.63 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 127.008 2.123 . . . . 0.0 110.114 -167.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.15 -10.07 27.42 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.444 2.762 . . . . 0.0 116.122 -160.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 8.5 p90 -81.8 -0.64 44.21 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.821 1.648 . . . . 0.0 115.017 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.07 123.99 18.45 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.058 0.943 . . . . 0.0 113.509 -167.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -87.01 144.23 26.99 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.567 1.547 . . . . 0.0 112.128 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -119.39 125.25 48.54 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.471 1.109 . . . . 0.0 111.824 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.86 120.87 15.59 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.635 1.574 . . . . 0.0 109.896 168.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.426 ' HB3' HG21 ' A' ' 83' ' ' ILE . 27.1 ptt? -149.17 40.53 0.87 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.5 t -66.51 158.21 30.2 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.413 0.685 . . . . 0.0 111.282 168.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -53.96 -38.83 65.41 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.69 1.196 . . . . 0.0 112.111 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.87 -41.61 91.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.721 0.808 . . . . 0.0 112.178 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.06 87.98 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.492 0.717 . . . . 0.0 111.777 175.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.2 -46.5 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.504 1.122 . . . . 0.0 110.284 173.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -64.43 -39.41 93.78 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.912 1.233 . . . . 0.0 113.836 174.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.42 -37.9 80.72 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.668 0.787 . . . . 0.0 112.805 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 -80.55 -39.04 28.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.757 0.823 . . . . 0.0 112.548 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -128.74 88.09 52.98 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.242 1.817 . . . . 0.0 110.727 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.72 -17.94 42.28 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 122.473 2.115 . . . . 0.0 113.61 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -68.62 -12.45 61.35 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.64 -10.32 59.06 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.088 0.858 . . . . 0.0 112.609 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.811 1.645 . . . . 0.0 112.252 171.164 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.14 146.21 24.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.731 1.212 . . . . 0.0 111.42 169.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.0 mt -121.61 154.65 36.48 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.019 1.328 . . . . 0.0 111.447 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -71.02 136.35 48.31 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 122.702 0.401 . . . . 0.0 110.008 164.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.84 -25.4 18.12 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -176.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -145.9 170.06 17.35 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.192 1.397 . . . . 0.0 112.585 -169.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.36 -144.96 33.83 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 124.198 0.904 . . . . 0.0 114.14 171.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -62.46 -30.6 80.26 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.548 2.832 . . . . 0.0 113.944 -172.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.35 15.56 16.84 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.735 1.214 . . . . 0.0 113.882 -165.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.25 122.4 7.69 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 119.246 0.93 . . . . 0.0 112.325 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.17 -6.32 81.87 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.331 1.443 . . . . 0.0 115.895 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.8 mt -81.98 151.37 66.98 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 119.643 1.722 . . . . 0.0 111.559 172.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -62.16 147.73 94.51 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.276 2.651 . . . . 0.0 112.153 171.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.41 -49.12 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -111.34 167.58 10.19 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.415 1.086 . . . . 0.0 113.683 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -49.93 -43.12 49.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.659 1.183 . . . . 0.0 111.844 166.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.9 m -67.34 -40.65 85.87 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.674 0.79 . . . . 0.0 111.986 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.9 -45.1 95.94 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.997 0.817 . . . . 0.0 111.343 173.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.01 99.58 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.945 0.898 . . . . 0.0 112.292 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -61.64 -42.43 98.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.108 0.963 . . . . 0.0 112.306 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -72.39 -36.24 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.071 0.948 . . . . 0.0 111.097 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.91 -50.76 72.12 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.538 0.608 . . . . 0.0 111.252 170.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.407 HG21 ' HB3' ' A' ' 101' ' ' MET . 64.7 mt -55.27 -48.14 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 122.942 0.497 . . . . 0.0 110.207 176.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.32 -55.85 21.25 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -70.66 -33.36 70.86 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -175.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.64 -48.26 82.36 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.973 -0.455 . . . . 0.0 110.335 167.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -59.05 -39.11 81.04 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.943 -1.027 . . . . 0.0 113.256 173.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.76 -48.58 80.72 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.764 1.62 . . . . 0.0 111.531 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -64.62 -45.42 86.97 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.213 -0.929 . . . . 0.0 111.925 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -61.22 -37.5 83.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.084 0.954 . . . . 0.0 111.085 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.32 -39.92 85.9 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.593 1.557 . . . . 0.0 112.015 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.8 -33.38 74.01 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.582 0.628 . . . . 0.0 112.073 172.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.4 m -78.36 -37.39 44.41 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 170.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -142.58 94.83 6.6 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 127.0 2.12 . . . . 0.0 110.149 -167.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.05 -9.02 24.83 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.365 2.71 . . . . 0.0 116.175 -160.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -81.69 -2.48 50.62 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.731 1.612 . . . . 0.0 114.987 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 124.58 20.61 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.504 1.121 . . . . 0.0 113.73 -165.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -96.12 149.03 22.07 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.054 1.341 . . . . 0.0 112.556 173.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -122.55 120.86 35.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.073 1.349 . . . . 0.0 111.576 -165.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.3 99.38 6.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.453 1.501 . . . . 0.0 109.811 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.407 ' HB3' HG21 ' A' ' 83' ' ' ILE . 21.6 ptt? -139.37 33.03 2.08 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.8 t -63.23 159.82 16.96 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.92 -0.488 . . . . 0.0 111.014 163.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -53.74 -42.72 68.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.54 1.136 . . . . 0.0 112.411 -175.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -63.86 -38.46 91.17 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.629 0.772 . . . . 0.0 111.453 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.54 -38.55 84.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.362 0.983 . . . . 0.0 112.184 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 60.0 mt -59.76 -52.47 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.976 0.807 . . . . 0.0 109.971 172.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -70.7 -28.6 64.88 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -78.17 -37.9 44.78 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.18 0.992 . . . . 0.0 112.875 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -75.67 -37.1 59.85 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.876 0.87 . . . . 0.0 112.062 174.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -131.67 92.04 32.1 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.719 1.608 . . . . 0.0 110.911 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.45 -18.19 29.79 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.512 2.142 . . . . 0.0 113.725 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -69.81 -11.5 60.91 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.15 -11.45 60.74 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.023 0.829 . . . . 0.0 112.687 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.522 1.529 . . . . 0.0 111.943 171.841 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 120.281 0.086 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.83 137.61 35.24 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.373 0.669 . . . . 0.0 110.702 171.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 mt -120.07 152.84 36.96 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.953 1.301 . . . . 0.0 110.795 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -69.93 133.84 47.74 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.886 -0.509 . . . . 0.0 110.002 167.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.84 -24.08 21.51 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -151.99 169.24 22.83 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.618 1.167 . . . . 0.0 112.392 -168.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.0 -142.46 29.61 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.586 1.088 . . . . 0.0 114.165 172.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -62.53 -31.49 80.18 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.539 2.826 . . . . 0.0 114.019 -171.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.4 16.3 15.69 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.811 1.245 . . . . 0.0 113.784 -165.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.04 122.12 7.09 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.248 0.931 . . . . 0.0 112.492 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.01 -7.58 79.9 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.525 1.536 . . . . 0.0 115.808 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.1 mt -81.53 150.39 66.73 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.683 1.742 . . . . 0.0 111.688 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -62.33 147.61 94.66 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.306 2.67 . . . . 0.0 112.43 170.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.22 -51.66 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.3 p -107.61 168.49 9.21 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.601 1.161 . . . . 0.0 113.284 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -55.98 -37.75 69.5 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.043 -1.036 . . . . 0.0 111.744 169.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.0 m -67.41 -41.48 84.81 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.869 0.868 . . . . 0.0 111.805 175.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -60.79 -43.78 97.68 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.347 -0.846 . . . . 0.0 111.426 172.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.21 -45.87 91.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.116 0.966 . . . . 0.0 112.249 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -59.65 -42.48 92.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.053 0.941 . . . . 0.0 112.002 173.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.1 t -71.97 -38.6 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.201 -0.937 . . . . 0.0 110.711 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -51.2 70.95 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.541 0.736 . . . . 0.0 111.777 172.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.408 HG21 ' HB3' ' A' ' 101' ' ' MET . 59.6 mt -59.82 -43.45 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.168 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -62.35 -52.83 62.07 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -61.28 -43.02 99.57 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.917 0.781 . . . . 0.0 112.699 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.07 -43.36 99.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.691 0.797 . . . . 0.0 111.819 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -64.24 -41.6 96.91 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.546 172.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.43 -45.41 93.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 120.671 1.578 . . . . 0.0 111.7 176.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.05 -47.75 83.3 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.268 -0.895 . . . . 0.0 111.686 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -68.36 -25.22 64.97 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.37 -0.831 . . . . 0.0 112.704 177.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -72.13 -39.51 68.76 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.052 1.296 . . . . 0.0 111.185 171.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -63.46 -33.49 75.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.223 173.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.3 p -84.23 -35.33 23.52 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 170.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -139.9 99.7 7.45 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 126.814 2.046 . . . . 0.0 111.237 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.39 -8.45 22.67 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 123.55 2.833 . . . . 0.0 116.434 -160.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -83.82 0.57 46.96 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.884 1.674 . . . . 0.0 115.139 -177.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 126.79 28.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.413 1.085 . . . . 0.0 113.848 -165.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.73 149.62 29.63 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.544 1.138 . . . . 0.0 112.843 171.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -119.14 100.02 7.08 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.203 1.001 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -116.52 76.33 1.02 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.862 1.265 . . . . 0.0 110.943 -172.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.408 ' HB3' HG21 ' A' ' 83' ' ' ILE . 23.8 ptt? -132.51 36.1 3.59 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -175.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.6 t -60.0 157.8 12.12 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.622 -0.674 . . . . 0.0 109.902 161.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -57.2 -35.43 69.61 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.46 -1.4 . . . . 0.0 113.009 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.35 -41.49 97.14 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.942 0.897 . . . . 0.0 112.189 172.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.75 75.42 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.788 0.835 . . . . 0.0 112.471 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.66 -48.11 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 118.871 0.759 . . . . 0.0 109.832 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -71.21 -32.71 69.14 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -72.48 -36.85 68.54 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.554 1.07 . . . . 0.0 112.819 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.9 ttm105 -78.43 -37.02 44.75 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.527 1.131 . . . . 0.0 112.393 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -134.91 86.76 31.77 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.778 2.031 . . . . 0.0 110.84 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -69.1 -17.76 40.43 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.507 2.138 . . . . 0.0 113.526 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -66.35 -13.67 60.94 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.52 -11.47 60.86 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.055 0.843 . . . . 0.0 113.028 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.117 1.767 . . . . 0.0 112.619 170.342 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 120.488 0.185 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.44 138.34 32.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.92 0.888 . . . . 0.0 111.016 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.8 mt -119.64 151.8 38.12 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.99 1.316 . . . . 0.0 110.644 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -68.82 134.95 50.39 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.93 -0.481 . . . . 0.0 110.157 168.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.2 -23.43 20.22 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.92 168.82 23.95 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.553 1.141 . . . . 0.0 112.387 -168.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.61 -143.17 31.04 Favored Glycine 0 CA--C 1.543 1.785 0 C-N-CA 124.511 1.053 . . . . 0.0 114.165 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.75 -30.75 78.46 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.566 2.844 . . . . 0.0 114.111 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -116.05 15.33 16.13 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.748 1.219 . . . . 0.0 113.893 -165.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.04 122.31 7.37 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.338 0.972 . . . . 0.0 112.487 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.25 -7.95 78.7 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.502 1.525 . . . . 0.0 115.838 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.4 mt -80.68 150.96 70.73 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 119.71 1.755 . . . . 0.0 111.579 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -61.39 146.56 97.06 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.197 2.598 . . . . 0.0 112.167 170.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.3 t -80.28 -51.85 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 118.997 -0.525 . . . . 0.0 112.341 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.5 p -108.15 168.62 9.16 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.324 1.05 . . . . 0.0 113.486 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -55.11 -37.31 66.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.282 1.033 . . . . 0.0 112.11 168.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -67.28 -44.04 80.29 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.716 0.806 . . . . 0.0 111.621 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.68 -42.24 92.47 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.072 -1.017 . . . . 0.0 111.719 174.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.23 94.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.265 1.026 . . . . 0.0 112.351 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -58.35 -44.31 88.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.094 0.958 . . . . 0.0 111.888 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.3 t -72.9 -35.82 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.563 0.745 . . . . 0.0 110.701 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -51.47 69.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.798 0.726 . . . . 0.0 111.836 171.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.21 -47.57 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -62.26 -54.98 32.96 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -71.25 -33.71 70.06 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.464 1.029 . . . . 0.0 113.545 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.9 -49.9 75.89 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.498 166.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -56.54 -42.4 78.42 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.379 174.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -55.4 -47.79 75.35 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 121.088 1.767 . . . . 0.0 111.094 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.77 -50.43 66.83 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.58 -0.7 . . . . 0.0 112.501 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -62.66 -32.12 73.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.171 0.988 . . . . 0.0 111.542 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -73.67 -34.98 65.16 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.977 1.711 . . . . 0.0 111.664 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -62.82 -38.91 92.63 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.82 0.848 . . . . 0.0 112.359 170.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.6 p -82.97 -33.04 26.73 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -134.85 100.85 11.86 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.426 1.89 . . . . 0.0 110.852 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.3 -10.55 27.31 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.31 2.673 . . . . 0.0 115.939 -160.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -82.68 -1.98 52.8 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.874 1.67 . . . . 0.0 114.93 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 120.29 9.97 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -164.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -82.43 135.8 35.07 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.766 1.226 . . . . 0.0 112.661 173.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -112.56 122.79 48.7 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.043 1.337 . . . . 0.0 110.994 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.56 123.9 21.96 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.93 1.292 . . . . 0.0 109.878 167.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -155.83 36.01 0.35 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.596 1.158 . . . . 0.0 113.415 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 t -57.34 155.21 9.39 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.731 -0.606 . . . . 0.0 109.931 161.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -59.86 -30.29 68.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.028 -1.045 . . . . 0.0 112.704 -171.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -63.18 -43.93 96.87 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.03 0.932 . . . . 0.0 111.585 171.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.04 84.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.399 0.68 . . . . 0.0 112.142 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.06 -53.56 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.617 0.767 . . . . 0.0 110.56 171.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -66.79 -32.09 73.15 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -74.74 -34.76 62.59 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -84.59 -32.55 23.71 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.953 0.901 . . . . 0.0 112.991 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -131.16 90.63 38.19 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 126.032 1.733 . . . . 0.0 110.248 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.53 -15.23 30.79 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.517 2.145 . . . . 0.0 114.0 -175.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -72.85 -12.36 60.95 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.94 -20.88 61.69 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.209 0.913 . . . . 0.0 113.088 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 125.831 1.652 . . . . 0.0 111.401 176.502 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 111.292 0.108 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.29 140.41 29.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.988 0.915 . . . . 0.0 111.158 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.9 mt -121.45 152.61 38.9 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.983 1.313 . . . . 0.0 111.152 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -69.38 136.31 51.5 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.013 0.525 . . . . 0.0 110.303 168.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.63 -25.75 18.15 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -146.42 170.08 17.57 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.219 1.408 . . . . 0.0 112.771 -169.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.8 -145.47 33.94 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.119 0.866 . . . . 0.0 114.21 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.16 -30.46 82.09 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.647 2.898 . . . . 0.0 113.93 -172.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -115.44 15.64 16.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.816 1.246 . . . . 0.0 113.824 -165.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.11 123.11 8.71 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.504 1.047 . . . . 0.0 112.482 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.31 -7.51 78.26 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 125.364 1.459 . . . . 0.0 115.857 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.7 mt -81.64 151.6 68.46 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 119.631 1.715 . . . . 0.0 111.811 174.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -62.33 146.66 95.74 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.308 2.672 . . . . 0.0 112.389 170.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.13 -53.89 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 119.06 -0.495 . . . . 0.0 112.228 -177.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 p -103.1 169.88 8.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.4 1.08 . . . . 0.0 113.354 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -61.05 -37.35 82.32 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.091 -1.006 . . . . 0.0 111.402 173.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 m -69.37 -36.98 77.36 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.776 171.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.73 -43.15 98.26 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.273 1.397 . . . . 0.0 111.267 171.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.85 -44.57 95.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.894 0.878 . . . . 0.0 112.422 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -57.47 -44.64 85.01 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.772 1.229 . . . . 0.0 112.014 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.39 -35.08 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.963 0.905 . . . . 0.0 110.822 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -52.19 66.58 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.738 0.699 . . . . 0.0 111.737 171.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' A' ' 101' ' ' MET . 72.8 mt -56.63 -47.21 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -60.49 -56.77 17.36 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -70.96 -33.97 70.97 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.423 1.01 . . . . 0.0 113.562 -174.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.34 -49.42 77.27 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.023 -0.423 . . . . 0.0 110.447 168.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -59.85 -40.75 89.6 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 117.411 -1.28 . . . . 0.0 112.818 173.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.05 -47.36 78.04 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.307 1.867 . . . . 0.0 111.01 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.06 -48.36 80.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.641 -0.662 . . . . 0.0 111.884 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -65.07 -33.63 76.5 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.435 -0.791 . . . . 0.0 111.839 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -76.36 -33.07 58.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.996 2.118 . . . . 0.0 112.46 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -66.4 -34.83 78.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.472 0.709 . . . . 0.0 111.847 166.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 t -74.2 -42.44 59.81 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 173.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -138.12 104.84 7.98 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.765 2.026 . . . . 0.0 110.442 -171.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.32 -11.16 28.27 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.147 2.564 . . . . 0.0 115.859 -161.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -83.44 -3.52 57.65 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.647 1.579 . . . . 0.0 114.935 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.24 123.16 16.36 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.881 0.872 . . . . 0.0 113.112 -167.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -91.68 146.43 23.78 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.507 1.123 . . . . 0.0 112.718 175.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -118.85 126.46 51.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.438 1.495 . . . . 0.0 110.72 -169.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -136.85 101.8 4.69 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.162 1.385 . . . . 0.0 110.369 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.412 ' HB3' HG21 ' A' ' 83' ' ' ILE . 23.1 ptt? -149.14 41.64 0.91 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -174.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.8 p -63.2 169.4 3.54 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.582 -0.699 . . . . 0.0 111.176 160.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -56.3 -34.03 66.11 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.003 -1.06 . . . . 0.0 112.116 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.48 -48.51 72.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.001 0.92 . . . . 0.0 110.549 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.23 -37.97 89.32 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.11 -48.36 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.197 0.999 . . . . 0.0 110.604 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -65.14 -33.83 76.94 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 120.189 1.359 . . . . 0.0 113.252 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -72.42 -38.44 68.36 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 118.943 0.792 . . . . 0.0 113.042 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -76.95 -36.52 56.47 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.236 1.014 . . . . 0.0 112.774 175.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -136.69 92.79 14.52 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.36 1.864 . . . . 0.0 110.625 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.28 -15.22 28.44 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.488 2.125 . . . . 0.0 114.159 -175.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -71.38 -11.89 61.13 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.05 -15.64 59.53 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 124.722 1.209 . . . . 0.0 111.094 177.629 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.54 138.75 31.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.885 0.874 . . . . 0.0 110.651 167.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.3 mt -121.33 153.18 38.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.008 1.323 . . . . 0.0 110.991 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -68.47 135.41 51.62 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.876 -0.515 . . . . 0.0 110.0 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 -22.91 20.85 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -177.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -151.3 172.05 16.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.651 1.18 . . . . 0.0 113.149 -168.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.47 -144.25 34.0 Favored Glycine 0 CA--C 1.542 1.735 0 CA-C-O 119.212 -0.771 . . . . 0.0 114.111 172.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -63.11 -30.89 75.78 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.369 2.712 . . . . 0.0 113.875 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -116.16 16.74 15.91 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.775 1.23 . . . . 0.0 113.977 -165.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.71 122.64 7.57 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 119.187 0.903 . . . . 0.0 112.433 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.18 -6.85 80.5 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.435 1.493 . . . . 0.0 115.814 -176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.61 151.82 65.62 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.729 1.764 . . . . 0.0 111.696 174.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -63.01 146.57 94.79 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.22 2.614 . . . . 0.0 112.223 171.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.6 -49.74 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -176.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.7 p -110.38 170.03 8.35 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.579 1.152 . . . . 0.0 113.19 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -54.99 -39.79 69.39 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.182 -0.949 . . . . 0.0 111.527 168.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.5 m -65.48 -42.92 91.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.784 0.833 . . . . 0.0 111.58 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -61.04 -42.07 97.79 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.134 -0.979 . . . . 0.0 111.707 173.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.06 99.71 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.848 0.859 . . . . 0.0 112.468 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.8 ttt-85 -58.32 -44.54 88.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.6 1.16 . . . . 0.0 111.627 171.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.6 t -72.11 -35.48 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.884 0.874 . . . . 0.0 110.756 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.57 -50.24 72.07 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.782 0.833 . . . . 0.0 112.062 172.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.6 mt -55.52 -45.73 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 122.828 0.451 . . . . 0.0 109.842 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -61.75 -53.33 57.51 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -60.95 -44.54 97.12 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.938 0.79 . . . . 0.0 112.763 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.6 -46.02 87.7 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.527 0.731 . . . . 0.0 111.657 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.1 t90 -56.71 -51.07 70.22 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.921 -1.038 . . . . 0.0 111.301 170.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.44 -40.97 96.41 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.355 1.434 . . . . 0.0 112.01 -174.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.06 -50.7 70.93 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.238 -0.914 . . . . 0.0 111.816 172.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -66.66 -25.79 66.74 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.231 -0.918 . . . . 0.0 112.71 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -80.22 -34.16 37.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 127.084 2.154 . . . . 0.0 112.192 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -65.03 -34.39 78.33 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.836 0.854 . . . . 0.0 111.393 166.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.5 t -73.22 -50.82 20.34 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.16 110.15 21.55 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 127.096 2.159 . . . . 0.0 111.085 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -71.47 -9.44 25.17 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 123.353 2.702 . . . . 0.0 116.053 -162.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -89.05 0.41 56.71 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.89 1.676 . . . . 0.0 115.274 -174.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 124.94 24.46 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.976 0.91 . . . . 0.0 113.115 -169.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -79.17 157.22 27.93 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.223 1.009 . . . . 0.0 112.342 171.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -126.09 117.17 22.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.092 1.357 . . . . 0.0 110.617 -174.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.42 92.56 3.69 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.74 1.616 . . . . 0.0 110.558 -174.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -143.82 40.6 1.4 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.9 p -62.63 164.28 7.87 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.905 -0.497 . . . . 0.0 110.901 159.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -57.35 -37.24 72.28 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.76 -1.213 . . . . 0.0 111.793 171.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.69 -48.64 79.88 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.459 1.104 . . . . 0.0 111.662 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.03 -41.04 97.69 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.506 0.593 . . . . 0.0 111.998 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.76 -50.97 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.806 0.842 . . . . 0.0 110.496 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -68.43 -25.98 65.29 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.79 1.177 . . . . 0.0 113.734 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -77.62 -42.12 36.09 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.082 0.953 . . . . 0.0 113.355 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -89.12 -25.88 21.63 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.723 1.209 . . . . 0.0 113.188 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -129.62 85.7 57.75 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 126.877 2.071 . . . . 0.0 109.974 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.78 -17.32 42.17 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.512 2.141 . . . . 0.0 113.996 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -68.83 -12.4 61.49 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.64 -10.2 59.41 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.132 0.878 . . . . 0.0 112.875 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.571 1.548 . . . . 0.0 112.177 169.596 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 120.298 0.094 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -141.24 145.07 35.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.502 1.521 . . . . 0.0 111.819 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.63 169.67 11.21 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.46 1.505 . . . . 0.0 116.036 172.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.8 p -157.3 156.74 32.94 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.053 1.741 . . . . 0.0 111.7 174.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -151.58 148.82 28.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.007 1.323 . . . . 0.0 112.141 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -142.19 126.14 17.22 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.052 1.341 . . . . 0.0 111.401 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -148.77 64.35 1.06 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.218 1.407 . . . . 0.0 112.638 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.28 60.06 1.47 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.548 1.139 . . . . 0.0 111.161 169.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -115.88 0.96 13.26 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.688 1.595 . . . . 0.0 113.946 -167.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -142.89 158.14 43.9 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.381 1.472 . . . . 0.0 111.382 -174.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.12 133.99 2.61 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.486 1.517 . . . . 0.0 112.437 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 p -150.89 102.05 2.95 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.072 0.949 . . . . 0.0 111.771 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.35 101.56 1.63 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.205 0.907 . . . . 0.0 111.784 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.32 -178.87 7.08 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.446 1.498 . . . . 0.0 111.76 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -89.33 141.24 28.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.201 1.0 . . . . 0.0 110.179 167.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.21 133.57 46.87 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.273 1.029 . . . . 0.0 110.853 172.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.23 137.95 35.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.244 0.618 . . . . 0.0 110.571 170.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.57 152.62 37.87 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.968 1.307 . . . . 0.0 110.779 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -69.71 137.18 51.84 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.874 -0.516 . . . . 0.0 110.1 167.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.95 -23.01 18.87 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -151.56 168.74 23.98 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.414 1.086 . . . . 0.0 112.501 -168.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.82 -142.02 30.27 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 124.635 1.112 . . . . 0.0 113.993 172.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.12 -30.75 75.6 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.47 2.78 . . . . 0.0 113.98 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -116.4 15.51 15.74 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.707 1.203 . . . . 0.0 113.913 -165.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.52 121.93 7.17 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.286 0.948 . . . . 0.0 112.372 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.66 -6.84 81.72 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 125.493 1.52 . . . . 0.0 115.911 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.1 mt -81.97 150.85 66.13 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 119.766 1.783 . . . . 0.0 111.602 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -62.59 148.91 92.68 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.406 2.737 . . . . 0.0 112.652 172.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.03 -49.78 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.7 p -107.7 168.66 9.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.591 1.156 . . . . 0.0 113.144 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -39.44 68.51 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 121.051 -1.031 . . . . 0.0 111.724 169.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.2 m -72.74 -35.32 67.48 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.3 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -60.12 -43.54 95.58 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.714 1.143 . . . . 0.0 111.13 168.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.33 98.85 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.919 0.888 . . . . 0.0 112.56 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.4 ttp-105 -58.38 -44.7 89.01 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.691 0.796 . . . . 0.0 111.8 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.38 -36.7 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.581 0.752 . . . . 0.0 110.389 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -51.19 70.51 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.529 0.732 . . . . 0.0 111.996 171.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -57.26 -45.17 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.193 0.597 . . . . 0.0 110.169 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -65.15 -52.28 56.05 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -61.59 -42.51 98.96 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.206 0.912 . . . . 0.0 112.864 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.92 -43.96 97.77 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.827 -0.546 . . . . 0.0 111.468 174.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -62.01 -43.16 99.42 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.245 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.39 -46.38 86.5 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 121.426 1.921 . . . . 0.0 111.47 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.8 -50.42 71.08 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.54 -0.725 . . . . 0.0 111.846 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.55 -30.61 71.64 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.31 -0.869 . . . . 0.0 112.628 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -74.23 -34.17 63.59 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.51 1.924 . . . . 0.0 112.075 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.35 -33.97 76.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.452 0.701 . . . . 0.0 111.743 168.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.6 m -76.18 -37.18 58.19 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -140.09 98.77 7.5 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 126.571 1.948 . . . . 0.0 110.318 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.57 -13.4 37.22 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.1 2.533 . . . . 0.0 115.483 -162.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 10.4 p90 -79.25 -11.09 59.95 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.413 1.485 . . . . 0.0 114.912 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.81 124.9 13.63 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.304 1.042 . . . . 0.0 113.167 -165.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -93.36 139.2 30.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.436 1.095 . . . . 0.0 111.981 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -112.29 127.09 55.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.413 1.485 . . . . 0.0 110.265 -174.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -142.29 103.45 4.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.788 1.235 . . . . 0.0 109.953 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -148.81 46.79 1.02 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.9 p -59.9 165.33 3.27 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.336 0.655 . . . . 0.0 112.191 163.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.09 -43.97 70.82 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.282 -0.886 . . . . 0.0 111.101 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -49.15 78.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.17 0.988 . . . . 0.0 111.255 174.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.88 -36.93 85.55 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.598 0.635 . . . . 0.0 112.688 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 68.2 mt -65.37 -48.14 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.375 -0.821 . . . . 0.0 110.53 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -68.87 -25.48 64.65 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.925 1.239 . . . . 0.0 114.034 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -79.22 -43.24 24.21 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.247 1.019 . . . . 0.0 113.006 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -70.96 -41.08 71.53 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.462 1.105 . . . . 0.0 111.884 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -127.37 87.41 56.35 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 126.164 1.786 . . . . 0.0 110.269 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -69.92 -13.45 34.29 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.497 2.132 . . . . 0.0 114.086 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -73.74 -13.79 61.02 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.28 -20.78 63.01 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.518 1.054 . . . . 0.0 113.033 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.34 1.856 . . . . 0.0 111.876 -177.873 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 119.499 -0.286 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -150.01 154.63 38.52 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.772 1.229 . . . . 0.0 113.057 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.66 165.8 11.47 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 125.068 1.318 . . . . 0.0 114.863 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.4 p -155.17 -68.94 0.12 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.341 1.056 . . . . 0.0 112.447 174.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -142.24 160.63 39.87 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.03 1.332 . . . . 0.0 113.04 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -152.1 147.48 26.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.162 1.785 . . . . 0.0 111.58 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -151.48 160.64 43.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.471 1.108 . . . . 0.0 111.973 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -61.36 -43.64 98.52 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.238 1.415 . . . . 0.0 112.975 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.6 t60 60.59 4.59 0.75 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 117.532 2.419 . . . . 0.0 117.532 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 t60 60.58 158.81 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.726 2.411 . . . . 0.0 115.975 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.93 171.18 43.28 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.885 1.231 . . . . 0.0 114.09 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 t -150.67 156.46 41.37 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.55 1.54 . . . . 0.0 110.754 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.32 111.54 4.23 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.825 0.726 . . . . 0.0 111.788 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.96 168.02 25.83 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.325 1.45 . . . . 0.0 111.662 -174.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mp -79.58 148.94 31.54 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.39 0.676 . . . . 0.0 110.978 172.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.87 136.01 53.41 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.041 1.336 . . . . 0.0 110.222 171.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.72 143.61 29.91 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.506 0.722 . . . . 0.0 111.519 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.3 mt -120.18 153.81 35.71 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.043 1.337 . . . . 0.0 110.9 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -70.75 132.58 45.57 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 164.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.0 -23.54 22.59 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -175.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -151.64 169.03 23.14 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.831 1.253 . . . . 0.0 112.287 -168.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.53 -143.88 30.93 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.496 1.046 . . . . 0.0 114.14 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.35 -31.63 81.48 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.553 2.835 . . . . 0.0 114.05 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.61 16.88 16.46 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.832 1.253 . . . . 0.0 113.774 -166.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.15 121.75 6.61 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.155 0.888 . . . . 0.0 112.445 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.76 -6.3 83.11 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 125.463 1.506 . . . . 0.0 115.837 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.5 mt -82.68 151.21 64.34 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 119.733 1.766 . . . . 0.0 111.559 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -61.22 148.67 92.25 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.22 2.613 . . . . 0.0 112.37 170.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.12 -45.67 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 118.998 -0.525 . . . . 0.0 112.353 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 p -114.52 169.31 9.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.63 1.172 . . . . 0.0 113.878 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -59.91 -37.92 80.82 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.379 1.072 . . . . 0.0 111.735 171.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 p -70.15 -38.3 75.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.758 0.823 . . . . 0.0 112.556 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -58.82 -46.91 86.55 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.976 1.262 . . . . 0.0 111.032 170.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.69 -44.14 93.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.802 0.841 . . . . 0.0 112.663 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -63.9 -40.66 97.02 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.355 -0.841 . . . . 0.0 112.609 174.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.44 -36.05 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 121.371 -0.83 . . . . 0.0 110.827 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.09 -49.45 77.25 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.641 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.96 -43.46 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 119.19 0.904 . . . . 0.0 110.383 176.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -62.33 -51.99 65.42 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -60.34 -44.93 95.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.802 0.841 . . . . 0.0 112.364 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -62.26 -46.88 86.85 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.596 0.758 . . . . 0.0 111.435 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -60.03 -41.9 93.23 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 123.59 0.756 . . . . 0.0 112.197 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.97 -42.48 99.18 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.126 1.33 . . . . 0.0 112.647 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -68.55 -46.92 68.2 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.486 -0.759 . . . . 0.0 111.771 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -60.75 -36.21 78.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.832 0.853 . . . . 0.0 111.452 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.34 -40.83 85.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.827 1.651 . . . . 0.0 112.082 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -61.65 -33.37 73.84 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.523 0.601 . . . . 0.0 112.582 172.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.4 m -76.07 -41.89 49.12 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 170.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.6 99.32 6.32 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 127.066 2.146 . . . . 0.0 110.174 -167.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.82 -8.34 22.2 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.419 2.746 . . . . 0.0 115.946 -160.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -81.16 2.09 29.08 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.913 1.685 . . . . 0.0 114.943 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 122.75 17.84 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.21 1.004 . . . . 0.0 113.49 -166.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -87.27 145.95 26.15 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.771 1.228 . . . . 0.0 112.342 172.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.86 123.76 43.34 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.002 1.321 . . . . 0.0 111.174 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -140.24 129.66 24.02 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.556 1.143 . . . . 0.0 110.452 166.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -159.45 40.35 0.21 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.637 1.175 . . . . 0.0 113.235 -174.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.8 p -62.09 164.55 6.61 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.302 1.041 . . . . 0.0 112.299 167.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -57.16 -32.93 66.91 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.014 -1.054 . . . . 0.0 112.029 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -51.13 70.52 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.622 0.769 . . . . 0.0 110.803 169.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.6 91.29 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.995 0.816 . . . . 0.0 112.739 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.93 -51.49 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 118.951 0.796 . . . . 0.0 110.748 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -70.58 -26.15 63.4 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.088 1.313 . . . . 0.0 113.883 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -72.32 -45.0 61.85 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.242 1.017 . . . . 0.0 112.559 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -84.11 -30.93 25.56 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.98 0.912 . . . . 0.0 113.402 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -131.53 84.38 55.79 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.661 1.984 . . . . 0.0 110.223 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -69.43 -14.17 36.7 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.519 2.146 . . . . 0.0 114.058 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -72.4 -13.65 61.51 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.71 -23.33 60.84 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.339 0.972 . . . . 0.0 113.227 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.743 1.617 . . . . 0.0 112.324 -178.074 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.0 mmm . . . . . 0 N--CA 1.5 2.037 0 N-CA-C 111.263 0.097 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -100.11 -19.96 16.22 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.46 171.99 30.91 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 124.327 0.965 . . . . 0.0 113.643 -171.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.7 p -155.51 159.49 39.79 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -174.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -142.43 115.86 9.04 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.333 1.453 . . . . 0.0 110.372 167.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -154.1 2.65 0.24 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.355 1.462 . . . . 0.0 112.916 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -77.85 -55.48 5.28 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.945 0.898 . . . . 0.0 113.242 -151.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -164.94 160.77 19.52 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.473 1.509 . . . . 0.0 111.838 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -153.1 119.76 5.65 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.035 0.934 . . . . 0.0 110.477 157.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -150.76 157.59 43.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.959 1.304 . . . . 0.0 111.586 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.76 -170.76 39.99 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.383 0.992 . . . . 0.0 113.349 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.9 t -140.41 133.07 28.84 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.128 1.371 . . . . 0.0 110.474 172.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.93 -161.05 37.33 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 123.818 0.723 . . . . 0.0 113.53 -170.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.73 22.29 6.89 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.057 1.343 . . . . 0.0 113.176 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -79.42 134.42 36.56 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.32 1.048 . . . . 0.0 111.56 -175.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.74 132.38 32.71 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.242 1.417 . . . . 0.0 110.011 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.39 144.3 28.89 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.826 0.85 . . . . 0.0 111.667 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.2 mt -121.49 154.91 35.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.079 1.351 . . . . 0.0 110.968 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -70.69 136.55 49.11 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.915 -0.491 . . . . 0.0 109.913 164.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.9 -22.12 20.23 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.87 171.34 17.38 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.775 1.23 . . . . 0.0 113.197 -168.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.33 -142.74 33.21 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.051 0.834 . . . . 0.0 113.918 172.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.18 -30.88 75.05 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.5 2.8 . . . . 0.0 113.993 -172.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.05 16.26 16.05 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.688 1.195 . . . . 0.0 113.875 -164.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.38 121.65 6.64 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.152 0.887 . . . . 0.0 112.327 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.01 -4.15 86.26 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.126 1.346 . . . . 0.0 115.899 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.7 mt -84.62 150.37 56.41 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 119.648 1.724 . . . . 0.0 111.63 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -62.29 148.76 92.68 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.473 2.782 . . . . 0.0 112.654 172.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.1 t -83.89 -47.93 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 p -110.94 169.03 9.04 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.745 1.218 . . . . 0.0 113.451 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.9 mtm105 -58.42 -37.39 75.26 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.224 -0.923 . . . . 0.0 111.826 169.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -66.8 -39.58 87.79 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.506 0.723 . . . . 0.0 112.129 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -61.26 -47.27 86.79 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.205 0.911 . . . . 0.0 110.902 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.66 92.26 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.73 0.812 . . . . 0.0 112.562 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -61.06 -45.42 94.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.478 1.111 . . . . 0.0 112.52 174.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.08 -34.4 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 118.621 0.646 . . . . 0.0 110.874 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.43 -51.65 68.59 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 118.732 -0.651 . . . . 0.0 111.34 170.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' A' ' 101' ' ' MET . 68.8 mt -55.94 -47.19 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 118.575 0.625 . . . . 0.0 110.107 177.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -62.42 -56.78 14.94 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -71.28 -31.8 67.9 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.26 -50.72 72.52 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.769 -0.582 . . . . 0.0 110.318 167.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 48.4 t90 -57.37 -40.15 77.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.302 -0.856 . . . . 0.0 112.725 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.35 -46.91 85.38 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.303 1.41 . . . . 0.0 112.028 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -64.72 -46.17 83.45 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.44 -0.788 . . . . 0.0 111.351 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -62.42 -36.07 81.22 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.64 0.776 . . . . 0.0 110.972 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -69.99 -39.18 76.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.837 1.655 . . . . 0.0 112.49 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -63.82 -30.71 71.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.998 0.519 . . . . 0.0 112.184 171.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.8 t -77.1 -43.14 35.3 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 170.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -140.65 101.64 6.57 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 127.095 2.158 . . . . 0.0 110.52 -169.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.03 -9.36 24.47 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.42 2.747 . . . . 0.0 116.386 -159.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -84.46 3.55 35.75 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.049 1.739 . . . . 0.0 115.061 -176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 125.85 26.12 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -166.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -88.01 152.03 22.34 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.093 1.357 . . . . 0.0 112.593 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -127.74 129.88 47.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.977 1.311 . . . . 0.0 111.183 -173.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.22 118.2 13.37 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.258 1.423 . . . . 0.0 110.097 172.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.421 ' HB3' HG21 ' A' ' 83' ' ' ILE . 26.8 ptt? -150.88 42.73 0.79 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.0 p -65.86 163.12 17.55 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.58 0.752 . . . . 0.0 110.677 166.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -58.6 -33.71 70.3 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.744 -1.222 . . . . 0.0 111.862 174.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -64.24 -46.41 83.93 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.155 0.982 . . . . 0.0 111.802 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.51 91.34 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.823 0.738 . . . . 0.0 112.202 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.24 -48.14 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.513 1.125 . . . . 0.0 110.358 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -64.07 -37.42 87.39 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.877 1.217 . . . . 0.0 113.456 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -72.48 -36.71 68.51 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -79.59 -36.62 37.82 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.372 1.069 . . . . 0.0 112.446 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -132.45 88.78 38.3 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 126.185 1.794 . . . . 0.0 110.819 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -69.29 -18.34 39.29 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.445 2.097 . . . . 0.0 113.684 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -69.51 -11.5 60.88 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.99 -10.17 59.27 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 119.191 0.905 . . . . 0.0 112.502 173.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 126.014 1.725 . . . . 0.0 112.263 173.821 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.4 mtm . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 120.231 0.062 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -124.55 158.57 32.67 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.987 1.715 . . . . 0.0 111.563 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.76 149.43 8.61 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.91 1.243 . . . . 0.0 112.883 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -156.72 160.23 39.1 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.669 1.188 . . . . 0.0 112.495 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -126.22 170.02 12.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.366 1.866 . . . . 0.0 111.747 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -70.2 -39.22 75.31 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -173.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 55.3 169.79 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.271 2.228 . . . . 0.0 115.007 -171.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -152.88 -42.14 0.1 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.66 1.584 . . . . 0.0 112.797 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 48.22 43.63 18.94 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.683 1.593 . . . . 0.0 113.669 -174.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -67.44 -21.05 65.57 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 176.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.33 -164.29 50.6 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.518 1.056 . . . . 0.0 113.731 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 t -162.65 -64.87 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.805 0.842 . . . . 0.0 112.863 170.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.69 0.31 73.55 Favored Glycine 0 CA--C 1.543 1.793 0 C-N-CA 124.652 1.12 . . . . 0.0 115.163 -170.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.51 -178.91 7.2 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.053 1.427 . . . . 0.0 113.102 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.77 144.65 25.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.872 1.269 . . . . 0.0 110.901 171.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.8 137.46 34.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.115 0.966 . . . . 0.0 111.049 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.12 137.44 34.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.344 0.658 . . . . 0.0 110.632 168.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.6 mt -120.38 152.91 37.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.974 1.31 . . . . 0.0 110.813 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -69.34 134.51 49.17 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.936 -0.478 . . . . 0.0 110.023 167.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.79 -24.08 20.44 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -151.82 169.42 22.29 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.589 1.156 . . . . 0.0 112.418 -168.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.99 -142.83 30.15 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 124.49 1.043 . . . . 0.0 114.02 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -63.21 -30.99 74.82 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.479 2.786 . . . . 0.0 113.932 -171.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.43 16.09 15.67 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.821 1.248 . . . . 0.0 113.917 -165.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.06 122.21 7.23 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.161 0.892 . . . . 0.0 112.489 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.15 -7.43 80.61 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.485 1.516 . . . . 0.0 115.957 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.2 mt -81.81 150.78 66.52 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 119.731 1.766 . . . . 0.0 111.628 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -62.79 147.09 95.1 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.331 2.687 . . . . 0.0 112.208 171.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.2 t -81.16 -48.79 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.8 p -111.73 168.63 9.41 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.596 1.158 . . . . 0.0 113.597 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -52.85 -39.77 62.82 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.263 1.025 . . . . 0.0 111.841 168.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.0 m -66.69 -43.51 84.2 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.866 0.866 . . . . 0.0 111.701 175.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -60.36 -40.88 92.32 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.057 -1.027 . . . . 0.0 111.756 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.58 91.92 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.086 0.955 . . . . 0.0 112.522 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -55.05 -45.19 75.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.258 1.023 . . . . 0.0 111.816 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.9 t -72.45 -38.43 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.394 0.678 . . . . 0.0 110.577 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -51.46 69.36 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.488 0.715 . . . . 0.0 111.825 172.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -55.74 -46.83 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.348 0.659 . . . . 0.0 110.285 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -63.21 -53.79 47.55 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -71.73 -33.47 68.74 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.018 -1.051 . . . . 0.0 113.307 -175.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.1 -44.01 95.14 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.875 -0.516 . . . . 0.0 111.101 167.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -62.32 -40.38 96.14 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.84 171.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.89 -44.0 91.07 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 121.139 1.79 . . . . 0.0 111.643 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.67 -50.0 66.56 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.535 -1.353 . . . . 0.0 112.032 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -61.39 -35.72 78.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.973 0.909 . . . . 0.0 112.25 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -68.2 -42.69 79.51 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.147 1.779 . . . . 0.0 111.725 174.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -63.07 -29.9 71.17 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.9 m -76.71 -43.38 37.71 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 168.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -138.61 102.9 7.78 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.861 2.064 . . . . 0.0 110.462 -169.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -72.32 -11.69 26.92 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.256 2.638 . . . . 0.0 115.648 -161.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -79.08 -3.47 45.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.531 1.532 . . . . 0.0 114.849 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 118.23 6.28 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -165.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 126.17 34.41 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.289 1.035 . . . . 0.0 110.77 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -95.72 124.5 39.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.657 1.583 . . . . 0.0 111.619 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -128.31 128.82 45.31 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.572 1.549 . . . . 0.0 109.303 163.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -152.73 44.72 0.68 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.89 0.852 . . . . 0.0 113.048 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.5 m -59.52 150.34 27.22 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.512 0.725 . . . . 0.0 110.856 168.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -60.11 -34.77 73.96 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.974 -1.079 . . . . 0.0 112.52 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -62.77 -42.67 99.79 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.695 0.798 . . . . 0.0 111.507 172.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.7 91.92 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.892 0.769 . . . . 0.0 112.108 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 98.5 mt -59.42 -51.47 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.103 0.961 . . . . 0.0 110.057 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -69.96 -29.68 66.86 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -77.02 -40.3 47.04 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.559 1.072 . . . . 0.0 112.993 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -77.16 -36.85 54.83 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.113 0.965 . . . . 0.0 112.135 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -125.99 85.59 59.22 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.595 1.558 . . . . 0.0 110.664 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -68.36 -17.73 44.26 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.447 2.098 . . . . 0.0 113.713 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -67.98 -12.92 61.67 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.77 -10.42 58.3 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.086 0.857 . . . . 0.0 112.854 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.846 1.658 . . . . 0.0 112.147 170.48 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -139.54 155.59 47.42 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.878 1.671 . . . . 0.0 111.779 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.48 157.91 12.63 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.577 1.084 . . . . 0.0 113.768 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 t -154.18 149.92 27.55 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.308 1.443 . . . . 0.0 111.635 175.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -134.43 22.06 3.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.162 1.385 . . . . 0.0 113.779 -174.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -148.99 130.49 14.84 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -148.99 141.42 24.22 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.055 1.342 . . . . 0.0 112.239 169.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.475 ' CG ' ' H ' ' A' ' 9' ' ' HIS . 23.0 t-80 51.52 -150.92 0.27 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.759 2.024 . . . . 0.0 113.442 -176.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.475 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 44.2 t60 -139.94 159.48 42.07 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.709 1.604 . . . . 0.0 112.01 -173.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -73.41 177.31 5.32 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.166 0.987 . . . . 0.0 113.495 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.42 127.97 6.11 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.085 1.326 . . . . 0.0 113.358 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -157.8 179.72 8.94 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.962 2.105 . . . . 0.0 109.633 170.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.61 172.83 41.94 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.126 -0.984 . . . . 0.0 115.242 -176.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.56 -174.47 0.09 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.216 1.806 . . . . 0.0 113.98 -169.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.4 mt -88.66 149.78 23.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.678 1.191 . . . . 0.0 111.577 176.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.42 132.37 34.23 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.145 0.578 . . . . 0.0 111.124 171.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.25 142.33 31.21 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.581 0.753 . . . . 0.0 110.743 167.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.6 mt -121.58 153.53 37.92 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.911 1.284 . . . . 0.0 111.158 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.54 135.96 47.29 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.992 -0.442 . . . . 0.0 110.049 165.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.57 -22.48 20.31 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -151.02 171.36 17.43 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.727 1.211 . . . . 0.0 113.313 -168.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.63 -142.89 33.03 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 124.046 0.832 . . . . 0.0 114.106 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.95 -30.33 76.68 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.516 2.811 . . . . 0.0 113.916 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -116.34 15.81 15.78 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.755 1.222 . . . . 0.0 113.874 -165.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.64 122.41 8.06 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 119.337 0.971 . . . . 0.0 112.465 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.92 -6.58 80.63 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.349 1.452 . . . . 0.0 115.773 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.7 mt -80.81 150.37 69.18 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-N 119.653 1.727 . . . . 0.0 111.637 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -61.88 147.46 95.17 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.351 2.7 . . . . 0.0 112.239 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.71 -47.34 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 121.846 -0.534 . . . . 0.0 112.431 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -111.32 167.62 10.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 113.45 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -57.74 -37.23 73.25 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.265 -0.897 . . . . 0.0 111.591 171.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.3 m -65.43 -44.64 86.71 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.113 0.965 . . . . 0.0 111.684 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -58.2 -43.06 87.44 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.584 1.084 . . . . 0.0 111.646 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.33 99.08 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -62.71 -39.91 95.5 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.313 -0.867 . . . . 0.0 112.213 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.27 -41.02 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.165 0.986 . . . . 0.0 110.195 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.8 -50.71 72.34 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.735 174.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.82 -46.02 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 118.42 0.555 . . . . 0.0 110.386 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -65.48 -54.27 30.75 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -58.72 -45.76 88.84 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.448 0.699 . . . . 0.0 112.236 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.48 -51.72 67.5 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.933 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -53.63 -42.88 68.23 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.753 1.161 . . . . 0.0 112.374 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -61.91 -43.47 98.77 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.785 1.175 . . . . 0.0 111.529 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.09 -41.88 81.19 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 121.075 -1.015 . . . . 0.0 113.062 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? -60.49 -35.67 76.48 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.772 -1.205 . . . . 0.0 110.96 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -70.27 -37.59 74.92 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.263 1.425 . . . . 0.0 111.963 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -61.89 -35.26 77.81 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.352 0.524 . . . . 0.0 111.813 169.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -73.26 -43.38 61.19 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 171.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -138.95 104.34 7.4 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.808 2.043 . . . . 0.0 110.454 -171.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.38 -18.62 44.05 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.22 2.613 . . . . 0.0 116.014 -158.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.7 p90 -81.98 -3.1 53.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.63 1.972 . . . . 0.0 115.39 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 124.91 18.07 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.434 1.093 . . . . 0.0 113.638 -164.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.6 mtm180 -90.3 144.27 25.99 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.638 1.175 . . . . 0.0 112.869 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -119.95 129.44 54.32 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.198 1.399 . . . . 0.0 111.222 -170.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -138.65 114.9 10.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.18 1.392 . . . . 0.0 110.837 174.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -150.45 43.79 0.85 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 t -53.57 152.24 5.21 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.907 0.883 . . . . 0.0 110.992 160.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -54.8 -35.1 63.5 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.079 -1.013 . . . . 0.0 112.388 171.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -64.83 -38.71 91.9 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.384 0.674 . . . . 0.0 111.884 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.32 79.87 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.394 0.678 . . . . 0.0 112.118 174.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.1 mm -59.2 -51.73 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 119.293 0.951 . . . . 0.0 110.233 170.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.36 -28.68 67.33 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -75.3 -40.67 58.31 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.304 0.956 . . . . 0.0 113.106 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -78.52 -34.13 47.48 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.126 0.971 . . . . 0.0 112.763 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -133.21 91.65 27.16 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.356 1.863 . . . . 0.0 110.17 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.45 -15.16 31.08 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.576 2.184 . . . . 0.0 114.134 -174.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -74.67 -12.69 60.49 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.47 -24.56 60.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.364 0.984 . . . . 0.0 112.998 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.288 0 C-N-CA 124.753 1.221 . . . . 0.0 112.536 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptm . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -145.82 165.16 29.69 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.853 1.661 . . . . 0.0 111.687 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.35 23.27 63.34 Favored Glycine 0 CA--C 1.535 1.318 0 N-CA-C 116.506 1.363 . . . . 0.0 116.506 163.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -139.56 134.43 32.15 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.688 1.244 . . . . 0.0 111.95 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -143.02 -38.06 0.35 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.708 1.203 . . . . 0.0 113.887 -173.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -157.03 129.05 7.23 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.933 1.693 . . . . 0.0 109.369 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -149.24 -30.57 0.24 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.728 2.121 . . . . 0.0 116.728 -170.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -150.6 80.38 1.34 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 120.454 1.479 . . . . 0.0 113.002 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -79.86 147.7 31.63 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.21 0.529 . . . . 0.0 111.867 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -158.74 -179.2 7.85 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.441 1.896 . . . . 0.0 109.821 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.25 162.25 31.73 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.146 0.879 . . . . 0.0 114.513 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 t -149.91 -62.46 0.21 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.04 7.29 86.66 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 -176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.49 -176.76 2.4 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 118.603 1.202 . . . . 0.0 113.241 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.37 156.33 16.37 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.196 1.398 . . . . 0.0 111.222 170.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.54 140.82 49.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.844 1.258 . . . . 0.0 112.031 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.78 147.42 23.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.015 1.326 . . . . 0.0 111.805 172.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.6 mt -123.11 155.73 36.38 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.132 1.373 . . . . 0.0 111.298 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -70.71 136.97 49.34 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.965 -0.46 . . . . 0.0 109.888 164.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.55 -22.71 19.37 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -151.39 168.35 25.1 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.456 1.102 . . . . 0.0 112.493 -168.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.22 -143.16 31.51 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 124.672 1.13 . . . . 0.0 114.027 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.08 -31.99 83.51 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.541 2.827 . . . . 0.0 113.936 -171.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -115.31 16.24 16.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.711 1.204 . . . . 0.0 113.796 -165.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.45 122.05 7.32 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.156 0.889 . . . . 0.0 112.228 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.61 -3.69 86.81 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 125.201 1.381 . . . . 0.0 115.827 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.4 mt -85.44 150.99 55.44 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 119.65 1.725 . . . . 0.0 111.596 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -63.45 149.13 91.92 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.493 2.795 . . . . 0.0 112.588 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.7 t -84.36 -46.43 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 p -112.02 169.48 8.82 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.734 1.214 . . . . 0.0 113.457 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -53.91 -42.16 68.43 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 121.297 -0.877 . . . . 0.0 111.895 167.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.6 m -65.94 -39.78 90.79 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.677 0.791 . . . . 0.0 111.855 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.89 -47.25 87.25 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.088 0.858 . . . . 0.0 111.203 172.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.8 98.09 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.717 0.807 . . . . 0.0 112.544 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -61.7 -42.56 99.1 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.469 1.108 . . . . 0.0 112.013 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.09 -33.2 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.852 0.861 . . . . 0.0 111.319 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.51 -49.1 78.08 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.82 0.736 . . . . 0.0 111.415 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.2 mt -56.19 -46.07 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 122.924 0.49 . . . . 0.0 110.42 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -62.61 -53.62 51.86 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -62.22 -42.86 99.69 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.738 0.699 . . . . 0.0 112.253 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.47 -46.24 89.4 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.035 0.534 . . . . 0.0 111.648 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.37 -44.88 89.05 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 118.688 -0.672 . . . . 0.0 112.21 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.84 -44.19 90.6 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.799 1.182 . . . . 0.0 111.746 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.65 -46.84 80.79 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.289 -0.882 . . . . 0.0 111.889 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -62.98 -28.86 70.38 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 117.62 -1.181 . . . . 0.0 112.245 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.32 -37.01 71.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.696 1.589 . . . . 0.0 111.751 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -62.0 -33.28 74.04 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.603 0.638 . . . . 0.0 111.836 168.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -75.64 -37.84 59.37 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 169.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -143.41 95.97 5.85 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 127.005 2.122 . . . . 0.0 110.623 -167.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.18 -9.81 27.32 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.179 2.586 . . . . 0.0 115.91 -163.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 11.0 p90 -82.68 -1.4 51.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.001 1.72 . . . . 0.0 115.106 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.68 123.74 18.33 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.297 1.039 . . . . 0.0 113.552 -167.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.75 151.79 25.03 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.541 1.136 . . . . 0.0 112.586 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -130.38 123.3 29.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.789 1.236 . . . . 0.0 110.346 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -137.05 119.99 16.42 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.728 1.211 . . . . 0.0 110.317 171.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -149.66 41.24 0.85 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.5 t -66.03 159.92 24.87 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.475 0.71 . . . . 0.0 111.039 163.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -57.33 -33.01 67.29 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.81 -1.182 . . . . 0.0 113.32 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -62.34 -39.92 94.67 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.562 0.745 . . . . 0.0 111.74 172.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.8 76.15 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.673 -0.642 . . . . 0.0 111.922 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.12 -51.46 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.202 0.91 . . . . 0.0 110.502 171.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -67.3 -34.22 76.93 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -73.75 -34.16 64.62 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -83.42 -33.96 25.6 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.016 0.927 . . . . 0.0 113.002 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -133.85 89.47 29.83 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 126.576 1.95 . . . . 0.0 110.463 -178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -70.32 -18.36 34.43 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.348 2.032 . . . . 0.0 113.802 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -70.09 -10.64 59.41 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.34 -9.48 58.2 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.177 0.898 . . . . 0.0 112.405 173.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 . . . . . 0 C--O 1.255 1.352 0 C-N-CA 125.758 1.623 . . . . 0.0 111.917 167.535 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -147.96 136.85 21.93 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.999 1.319 . . . . 0.0 111.807 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.57 179.96 28.68 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 125.185 1.374 . . . . 0.0 116.121 171.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.1 m -142.99 158.83 43.23 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.82 2.048 . . . . 0.0 110.86 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -86.08 146.88 26.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.266 0.626 . . . . 0.0 112.049 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -145.59 136.56 24.62 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.424 1.489 . . . . 0.0 110.757 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -142.49 138.82 31.23 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.93 1.292 . . . . 0.0 111.451 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -157.0 135.76 11.63 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.846 1.259 . . . . 0.0 111.25 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -162.46 160.66 26.51 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.894 1.278 . . . . 0.0 111.275 169.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -85.21 -179.13 6.94 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.225 1.41 . . . . 0.0 114.132 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.43 -167.64 37.76 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.658 1.123 . . . . 0.0 113.728 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -134.7 163.36 29.95 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.194 1.398 . . . . 0.0 112.641 -172.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.69 -134.33 2.91 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.987 1.279 . . . . 0.0 113.999 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 61.08 -164.21 0.24 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.03 1.732 . . . . 0.0 113.366 -169.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -82.55 151.46 26.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.557 1.143 . . . . 0.0 112.597 -171.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.42 140.35 51.48 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.376 1.47 . . . . 0.0 110.74 169.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.71 143.2 28.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.919 0.888 . . . . 0.0 111.342 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.5 mt -122.55 155.25 36.66 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.026 1.331 . . . . 0.0 111.041 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -70.96 137.47 49.19 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 122.002 -0.436 . . . . 0.0 109.88 164.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.54 -22.44 18.83 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -151.26 167.94 26.28 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.534 1.133 . . . . 0.0 112.649 -168.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.28 -141.27 29.74 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.641 1.115 . . . . 0.0 114.048 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.64 -31.41 79.35 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.561 2.84 . . . . 0.0 113.956 -171.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.88 15.22 16.31 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.677 1.191 . . . . 0.0 113.907 -165.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.1 121.96 7.69 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.193 0.906 . . . . 0.0 112.294 -176.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.06 -4.61 85.75 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 125.209 1.385 . . . . 0.0 115.871 -176.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.95 149.79 60.23 Favored Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 119.654 1.727 . . . . 0.0 111.619 173.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -63.45 147.33 93.38 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.363 2.708 . . . . 0.0 112.276 173.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.62 -48.68 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 118.344 0.52 . . . . 0.0 112.384 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.5 p -110.24 169.12 8.94 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.507 1.123 . . . . 0.0 113.758 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -57.52 -37.02 72.35 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 121.487 -0.758 . . . . 0.0 111.826 169.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 m -66.58 -41.81 87.95 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.155 0.982 . . . . 0.0 111.761 174.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -61.35 -44.04 97.86 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.028 0.831 . . . . 0.0 111.301 173.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.23 97.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.658 0.783 . . . . 0.0 112.484 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 50.8 ttm-85 -59.82 -44.16 94.17 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.344 1.057 . . . . 0.0 112.173 173.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.74 -37.07 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.558 0.743 . . . . 0.0 110.813 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.07 -50.76 71.99 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.557 0.617 . . . . 0.0 111.676 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.15 -43.46 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 118.517 0.599 . . . . 0.0 109.969 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -62.28 -50.35 72.05 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -64.06 -43.98 93.81 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.356 -0.84 . . . . 0.0 112.003 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.76 -45.51 92.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.997 0.919 . . . . 0.0 111.592 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.8 t90 -56.79 -51.0 70.65 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.608 0.763 . . . . 0.0 111.871 171.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -63.85 -41.57 97.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.443 1.02 . . . . 0.0 111.954 -174.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.06 -49.45 75.94 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.351 -0.843 . . . . 0.0 111.69 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -65.47 -24.86 67.26 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.214 -0.929 . . . . 0.0 112.323 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -74.76 -35.84 62.58 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.122 1.369 . . . . 0.0 112.339 173.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.9 mmt85 -63.13 -33.43 75.44 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.537 0.608 . . . . 0.0 111.44 167.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.6 m -73.78 -42.89 60.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 169.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -143.34 102.97 5.08 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.709 2.004 . . . . 0.0 110.713 -169.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.87 -10.27 26.02 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.31 2.673 . . . . 0.0 116.399 -159.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.4 p90 -84.45 0.31 50.06 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.057 1.743 . . . . 0.0 115.245 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.0 126.29 26.85 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.495 1.118 . . . . 0.0 113.508 -167.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -74.74 153.89 38.62 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.362 1.065 . . . . 0.0 113.07 170.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -126.66 98.63 5.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.864 1.265 . . . . 0.0 109.824 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -122.77 94.15 4.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.773 1.229 . . . . 0.0 110.224 -171.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -144.26 57.21 1.32 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.123 0.969 . . . . 0.0 112.818 -172.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.7 p -60.92 164.75 4.61 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.144 -0.972 . . . . 0.0 111.083 163.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.7 -38.69 75.65 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.6 -1.312 . . . . 0.0 111.374 173.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.87 -46.16 90.19 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.581 1.152 . . . . 0.0 111.618 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.33 89.74 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.603 0.638 . . . . 0.0 112.339 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.05 -44.94 99.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.642 1.11 . . . . 0.0 110.383 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -67.96 -31.94 72.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.572 1.078 . . . . 0.0 113.682 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -75.94 -38.74 57.27 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.922 -1.111 . . . . 0.0 113.136 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -70.61 -39.59 73.67 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.806 1.242 . . . . 0.0 111.675 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -136.02 90.83 18.05 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 126.036 1.734 . . . . 0.0 110.665 -174.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -69.31 -18.97 38.87 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.531 2.154 . . . . 0.0 113.884 -176.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -70.4 -10.41 59.0 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.91 -10.1 59.01 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.355 0.979 . . . . 0.0 112.45 172.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 . . . . . 0 C--O 1.257 1.458 0 C-N-CA 125.617 1.567 . . . . 0.0 111.524 164.353 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 119.355 -0.355 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 63.69 149.3 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 127.794 2.438 . . . . 0.0 114.75 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.89 168.38 36.1 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.777 1.179 . . . . 0.0 113.243 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t -152.29 146.55 25.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.931 1.292 . . . . 0.0 111.482 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -136.08 131.17 34.5 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.119 1.368 . . . . 0.0 111.355 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -153.4 122.36 6.48 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.805 1.242 . . . . 0.0 110.296 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -148.1 129.69 14.98 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.127 0.971 . . . . 0.0 110.457 171.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -74.44 166.29 23.75 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.295 1.438 . . . . 0.0 113.346 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -145.72 145.89 31.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.17 0.988 . . . . 0.0 112.12 167.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -151.94 151.9 31.82 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.878 1.671 . . . . 0.0 110.774 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.72 -170.74 39.27 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 123.914 0.768 . . . . 0.0 113.555 -173.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -158.12 136.32 10.86 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.016 0.926 . . . . 0.0 112.507 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.45 -111.57 3.84 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.918 1.247 . . . . 0.0 115.346 163.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 61.36 151.66 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.004 2.121 . . . . 0.0 114.001 -159.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.4 tp -97.38 132.85 42.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.395 1.078 . . . . 0.0 112.192 -173.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.88 128.02 47.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.299 1.04 . . . . 0.0 110.332 165.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.79 139.96 34.49 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.56 0.744 . . . . 0.0 110.827 170.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.5 mt -120.51 151.86 38.8 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.781 1.232 . . . . 0.0 111.118 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -69.09 137.06 53.19 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.026 0.531 . . . . 0.0 110.322 168.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.37 -22.26 19.04 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -151.69 168.54 24.68 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.406 1.082 . . . . 0.0 112.59 -167.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.31 -143.98 32.53 Favored Glycine 0 CA--C 1.543 1.807 0 C-N-CA 124.609 1.099 . . . . 0.0 114.177 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -62.52 -30.43 79.68 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.532 2.822 . . . . 0.0 113.977 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -115.65 14.88 16.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.737 1.215 . . . . 0.0 113.915 -165.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.21 122.83 8.32 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.4 1.0 . . . . 0.0 112.45 -177.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.48 -7.78 77.57 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.436 1.493 . . . . 0.0 115.854 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.8 mt -80.83 151.79 71.24 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 119.682 1.741 . . . . 0.0 111.524 173.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -61.68 146.69 96.57 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.2 2.6 . . . . 0.0 112.274 170.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 t -80.12 -49.36 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 119.002 -0.523 . . . . 0.0 112.235 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.5 p -110.43 168.68 9.27 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.49 1.116 . . . . 0.0 113.543 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -55.32 -39.5 70.04 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.564 1.145 . . . . 0.0 112.021 169.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.3 m -67.2 -41.29 86.05 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.971 0.909 . . . . 0.0 112.024 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -60.94 -43.73 98.24 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.25 -0.907 . . . . 0.0 111.395 173.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.32 97.55 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.845 0.858 . . . . 0.0 112.42 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -59.43 -42.95 93.07 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.185 0.994 . . . . 0.0 111.991 172.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.9 t -74.75 -30.63 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.206 -0.934 . . . . 0.0 111.249 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -49.41 76.08 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.051 0.94 . . . . 0.0 111.987 169.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.62 -44.41 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 122.784 0.434 . . . . 0.0 110.104 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.75 -51.23 67.93 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -60.21 -45.45 93.13 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.398 -0.814 . . . . 0.0 112.646 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.43 -52.43 65.26 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.65 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -53.78 -44.2 69.88 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.477 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.7 -47.14 85.55 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 120.13 1.332 . . . . 0.0 112.012 174.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.46 -48.7 80.6 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.627 1.103 . . . . 0.0 111.755 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -62.16 -32.34 72.95 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.622 0.769 . . . . 0.0 111.681 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -75.34 -36.06 61.09 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.701 1.137 . . . . 0.0 112.035 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -69.67 -26.52 64.43 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.496 1.118 . . . . 0.0 111.851 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.0 p -87.38 -34.88 18.63 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 166.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -135.25 100.76 11.46 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 126.483 1.913 . . . . 0.0 111.218 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.26 -19.72 49.92 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.802 3.002 . . . . 0.0 116.45 -156.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.0 p90 -76.49 -4.47 42.79 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.456 1.902 . . . . 0.0 115.466 -174.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 120.21 7.98 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -164.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -85.18 138.38 32.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.493 1.517 . . . . 0.0 112.64 173.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -110.26 127.81 55.19 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.372 1.469 . . . . 0.0 111.362 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -138.91 122.82 17.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.634 1.574 . . . . 0.0 109.568 163.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -148.69 39.24 0.86 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.6 t -64.64 160.45 19.75 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.775 0.83 . . . . 0.0 111.317 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -59.92 -34.41 73.18 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.805 -1.185 . . . . 0.0 113.256 -171.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -64.96 -39.36 93.37 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.544 -0.722 . . . . 0.0 111.857 171.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.16 79.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.784 0.72 . . . . 0.0 111.967 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 27.7 mm -59.12 -54.1 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 118.956 0.798 . . . . 0.0 110.473 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -67.46 -30.21 69.86 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -75.37 -37.72 60.42 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.327 -0.858 . . . . 0.0 113.041 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -79.24 -37.38 38.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.043 0.937 . . . . 0.0 112.541 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.95 91.23 40.32 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 126.625 1.97 . . . . 0.0 110.263 -177.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.71 -15.53 30.18 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.522 2.148 . . . . 0.0 114.043 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -74.25 -11.58 60.32 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.56 -20.73 59.83 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.308 0.958 . . . . 0.0 112.838 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.363 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.411 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.02 140.32 51.68 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.048 1.339 . . . . 0.0 111.804 174.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.53 -61.81 1.6 Allowed Glycine 0 N--CA 1.473 1.15 0 C-N-CA 124.44 1.019 . . . . 0.0 111.624 169.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.79 38.42 30.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.043 1.737 . . . . 0.0 114.357 174.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -81.94 -39.49 23.65 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.363 1.065 . . . . 0.0 113.345 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 51.97 32.85 10.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.648 1.979 . . . . 0.0 115.729 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -110.65 152.01 27.01 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.246 1.418 . . . . 0.0 112.116 -176.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -153.98 144.18 22.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.686 0.794 . . . . 0.0 112.818 163.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 51.76 178.21 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 127.727 2.411 . . . . 0.0 114.62 -173.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -160.36 -36.92 0.05 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.432 -1.417 . . . . 0.0 113.994 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.65 98.0 0.36 Allowed Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.121 0.867 . . . . 0.0 111.143 -163.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t -153.71 -176.86 6.02 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.815 1.646 . . . . 0.0 111.081 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.29 103.62 0.43 Allowed Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.783 1.182 . . . . 0.0 112.835 173.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.48 -175.35 4.96 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.773 1.629 . . . . 0.0 111.042 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -92.84 139.92 30.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.177 0.991 . . . . 0.0 109.963 163.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.84 135.48 36.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.801 0.84 . . . . 0.0 111.254 174.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.3 137.68 33.32 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.711 0.805 . . . . 0.0 110.602 168.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.4 mt -120.5 152.73 37.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.95 1.3 . . . . 0.0 110.728 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -69.11 135.12 50.25 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.937 -0.477 . . . . 0.0 110.092 167.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.19 -23.54 20.19 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -151.77 169.01 23.26 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.56 1.144 . . . . 0.0 112.359 -168.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.79 -143.05 30.67 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 124.621 1.105 . . . . 0.0 114.017 172.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.71 -31.63 78.79 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.487 2.792 . . . . 0.0 113.98 -171.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -115.87 16.31 16.24 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.793 1.237 . . . . 0.0 113.807 -165.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.98 122.17 7.11 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 119.32 0.964 . . . . 0.0 112.491 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.67 -7.15 80.74 Favored Glycine 0 CA--C 1.542 1.728 0 C-N-CA 125.529 1.538 . . . . 0.0 115.827 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.18 151.34 66.24 Favored Pre-proline 0 CA--C 1.547 0.842 0 CA-C-N 119.686 1.743 . . . . 0.0 111.62 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.35 147.83 93.29 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.249 2.633 . . . . 0.0 112.376 172.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.17 -50.67 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -108.1 169.32 8.7 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.597 1.159 . . . . 0.0 113.253 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -56.61 -37.62 70.93 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.099 -1.0 . . . . 0.0 111.761 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.3 m -67.38 -41.22 85.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.678 0.791 . . . . 0.0 111.968 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -61.2 -41.85 97.56 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.364 0.984 . . . . 0.0 111.5 173.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.37 -44.45 94.72 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.033 0.933 . . . . 0.0 112.445 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -56.47 -44.99 81.11 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.068 0.947 . . . . 0.0 111.511 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -73.49 -36.03 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.731 0.812 . . . . 0.0 110.779 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -50.77 72.2 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.63 0.65 . . . . 0.0 111.877 171.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.8 mt -57.48 -46.31 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.071 0.549 . . . . 0.0 110.134 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -64.23 -50.3 68.54 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -63.87 -43.21 96.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.437 0.695 . . . . 0.0 111.999 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.29 -44.79 95.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.837 0.455 . . . . 0.0 111.624 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 50.5 t90 -60.17 -44.33 95.12 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.094 -0.955 . . . . 0.0 112.097 172.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.4 -42.93 92.92 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 120.638 1.563 . . . . 0.0 112.343 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.42 -50.22 64.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.224 0.61 . . . . 0.0 111.736 174.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -63.68 -32.76 74.35 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.069 -1.02 . . . . 0.0 112.326 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -74.74 -32.02 61.98 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.569 1.947 . . . . 0.0 112.19 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.2 mtt85 -63.96 -38.34 90.71 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 118.787 0.721 . . . . 0.0 112.361 164.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.7 m -74.01 -36.52 64.47 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -140.64 98.57 7.1 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 126.573 1.949 . . . . 0.0 110.269 -168.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -72.71 -9.81 24.31 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 123.077 2.518 . . . . 0.0 115.302 -164.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.5 p90 -78.3 -2.58 38.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.541 1.536 . . . . 0.0 114.809 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.3 146.79 18.35 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.749 1.219 . . . . 0.0 113.873 -170.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.25 143.22 50.67 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.508 1.523 . . . . 0.0 111.364 170.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -111.31 126.41 54.88 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.109 1.364 . . . . 0.0 110.977 -167.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -129.27 97.68 4.66 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.299 1.04 . . . . 0.0 111.13 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -148.69 40.56 0.91 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.4 p -58.5 163.83 2.94 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.48 -0.763 . . . . 0.0 110.655 157.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.4 -34.74 69.2 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.652 -1.28 . . . . 0.0 111.766 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -66.04 -45.12 82.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.718 0.807 . . . . 0.0 111.161 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.72 94.89 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.151 0.887 . . . . 0.0 112.329 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.96 -49.67 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.017 0.927 . . . . 0.0 110.378 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -69.08 -30.82 69.22 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.931 1.242 . . . . 0.0 113.804 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -70.74 -44.12 67.46 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.23 0.923 . . . . 0.0 112.532 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -75.68 -38.09 59.01 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.328 1.051 . . . . 0.0 112.431 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -129.88 88.63 48.44 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 126.127 1.771 . . . . 0.0 110.455 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -69.84 -17.88 36.97 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.391 2.061 . . . . 0.0 113.588 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -68.72 -12.06 60.99 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -178.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.49 -10.64 59.7 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.069 0.85 . . . . 0.0 112.681 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.795 1.638 . . . . 0.0 112.045 170.042 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 61.08 163.97 0.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 127.436 2.294 . . . . 0.0 114.469 -172.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.54 143.51 5.4 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.856 1.693 . . . . 0.0 114.543 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.9 t -158.76 151.41 21.93 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.654 1.581 . . . . 0.0 111.106 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -140.72 140.11 34.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.371 1.469 . . . . 0.0 111.572 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -152.29 102.13 2.74 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.962 0.905 . . . . 0.0 111.069 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -137.34 174.81 10.21 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.949 2.099 . . . . 0.0 110.636 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -153.25 155.63 36.95 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.224 -0.923 . . . . 0.0 112.306 172.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -156.07 160.38 39.93 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.159 1.383 . . . . 0.0 111.561 170.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -85.92 -29.29 23.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.12 168.71 11.08 Favored Glycine 0 CA--C 1.541 1.717 0 C-N-CA 125.243 1.402 . . . . 0.0 115.955 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.1 m -131.27 -12.66 3.54 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -169.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.54 30.45 77.64 Favored Glycine 0 CA--C 1.541 1.711 0 CA-C-N 119.526 1.057 . . . . 0.0 115.118 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -101.25 -174.06 2.52 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.488 1.515 . . . . 0.0 114.111 -171.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 mp -92.71 156.23 17.18 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.703 1.601 . . . . 0.0 111.06 169.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.29 142.35 51.03 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.956 1.302 . . . . 0.0 111.971 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.83 141.45 28.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.673 1.189 . . . . 0.0 111.349 171.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 mt -122.03 153.96 37.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.101 1.361 . . . . 0.0 110.723 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -69.55 136.9 51.93 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.959 -0.463 . . . . 0.0 110.18 167.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.51 -23.44 19.1 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -174.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -151.79 168.7 24.25 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.434 1.094 . . . . 0.0 112.56 -167.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.14 -141.88 29.73 Favored Glycine 0 CA--C 1.542 1.74 0 C-N-CA 124.629 1.109 . . . . 0.0 114.07 172.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.84 -31.26 77.95 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.51 2.807 . . . . 0.0 113.885 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -116.43 15.78 15.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.714 1.206 . . . . 0.0 113.917 -165.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.4 122.27 7.62 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.344 0.975 . . . . 0.0 112.451 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.26 -6.06 82.72 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.424 1.487 . . . . 0.0 115.846 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.1 mt -82.88 151.06 63.37 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 119.659 1.729 . . . . 0.0 111.733 174.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -63.64 149.39 91.02 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.538 2.825 . . . . 0.0 112.511 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.6 t -85.69 -48.05 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.0 p -109.28 170.07 8.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.837 1.255 . . . . 0.0 113.341 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -55.84 -40.09 72.34 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.164 -0.96 . . . . 0.0 111.499 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -70.07 -36.46 74.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.333 0.653 . . . . 0.0 112.743 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -61.14 -43.84 98.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.607 1.094 . . . . 0.0 111.172 170.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.16 94.14 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.093 0.957 . . . . 0.0 112.446 176.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -58.93 -44.61 91.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.341 1.056 . . . . 0.0 111.712 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.8 t -73.51 -33.76 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.642 -0.661 . . . . 0.0 110.847 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -50.94 72.13 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.936 0.789 . . . . 0.0 111.809 169.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.94 -46.97 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.029 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -62.12 -51.46 67.82 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -62.52 -43.61 98.4 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.317 0.647 . . . . 0.0 112.489 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.57 -44.69 93.37 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 122.075 -0.391 . . . . 0.0 111.793 175.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -59.26 -46.98 87.07 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.052 0.941 . . . . 0.0 111.986 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -61.48 -45.94 92.11 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.926 1.239 . . . . 0.0 111.869 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -49.47 77.33 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.193 0.906 . . . . 0.0 112.312 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -64.6 -30.47 71.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.099 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.51 -39.24 77.69 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.246 1.384 . . . . 0.0 111.939 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.2 mmm-85 -63.15 -31.99 73.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.779 0.832 . . . . 0.0 111.241 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.0 m -77.0 -40.13 47.82 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 168.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -141.93 98.01 6.35 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 126.739 2.016 . . . . 0.0 110.777 -168.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.11 -9.43 25.54 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.493 2.795 . . . . 0.0 116.518 -158.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -81.87 -1.96 49.46 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.754 1.622 . . . . 0.0 115.063 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.94 123.49 16.71 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.362 1.065 . . . . 0.0 113.525 -166.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -86.37 141.22 29.35 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.348 1.059 . . . . 0.0 112.489 175.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -107.02 126.22 52.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.009 1.324 . . . . 0.0 111.727 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -136.73 95.23 3.1 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.747 1.619 . . . . 0.0 110.305 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -148.63 44.5 1.02 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.5 p -62.98 166.43 5.77 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.313 -0.867 . . . . 0.0 110.899 162.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.88 -34.31 69.65 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.867 -1.146 . . . . 0.0 111.802 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -62.24 -52.01 65.44 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.704 0.802 . . . . 0.0 111.302 171.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.51 87.4 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.862 0.755 . . . . 0.0 112.29 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.58 -50.87 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.316 1.046 . . . . 0.0 110.69 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -68.4 -28.57 67.21 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.225 1.375 . . . . 0.0 113.719 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -76.47 -39.88 51.94 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.017 0.927 . . . . 0.0 113.116 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -79.64 -36.67 37.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.51 1.124 . . . . 0.0 112.575 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -127.14 84.95 62.16 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.499 1.92 . . . . 0.0 110.314 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.55 -18.81 48.89 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.341 2.027 . . . . 0.0 113.686 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -68.34 -12.23 60.76 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.49 -11.29 60.71 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.212 0.914 . . . . 0.0 112.357 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.89 1.676 . . . . 0.0 111.757 166.435 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 119.455 -0.307 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 52.22 41.38 30.24 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 125.811 1.645 . . . . 0.0 114.019 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.89 145.36 44.91 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.302 0.953 . . . . 0.0 113.573 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -155.17 159.18 39.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.39 1.476 . . . . 0.0 111.441 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -147.07 157.2 43.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.463 1.505 . . . . 0.0 112.397 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -149.18 153.28 37.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.282 1.433 . . . . 0.0 111.967 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -141.38 106.44 4.97 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.974 1.31 . . . . 0.0 109.992 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -156.26 152.1 27.32 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.421 1.089 . . . . 0.0 112.116 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -158.36 154.82 27.64 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.694 1.198 . . . . 0.0 113.491 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -154.03 147.09 24.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.291 1.836 . . . . 0.0 109.193 167.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.73 162.68 32.77 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.077 0.846 . . . . 0.0 113.498 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.4 p -137.74 9.35 2.85 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -169.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.85 -139.97 32.27 Favored Glycine 0 CA--C 1.539 1.555 0 O-C-N 121.113 -0.992 . . . . 0.0 113.182 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.89 -167.72 0.15 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.918 1.687 . . . . 0.0 114.301 -176.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 tp -89.66 140.31 29.69 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.382 1.473 . . . . 0.0 112.526 -173.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.48 137.47 36.38 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.353 1.061 . . . . 0.0 111.31 165.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.66 144.2 27.25 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.216 1.006 . . . . 0.0 111.398 170.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 mt -122.23 154.53 37.4 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.012 1.325 . . . . 0.0 111.369 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -70.39 137.51 50.55 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.728 0.411 . . . . 0.0 110.078 165.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.74 -24.52 17.79 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -175.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -145.79 169.48 18.45 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.175 1.39 . . . . 0.0 112.853 -169.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.99 -145.36 34.94 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 124.24 0.924 . . . . 0.0 114.21 171.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.08 -30.9 83.27 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.552 2.834 . . . . 0.0 113.963 -172.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -114.58 15.43 17.73 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.79 1.236 . . . . 0.0 113.884 -165.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.33 122.49 7.9 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.35 0.977 . . . . 0.0 112.225 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.78 -5.38 83.94 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.334 1.445 . . . . 0.0 115.88 -176.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.95 150.86 62.72 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 119.561 1.68 . . . . 0.0 111.622 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.29 146.41 93.7 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.287 2.658 . . . . 0.0 112.05 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.8 t -80.55 -50.06 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.847 -0.533 . . . . 0.0 112.345 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.7 p -109.13 170.35 8.11 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.538 1.135 . . . . 0.0 113.324 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -59.75 -34.22 72.68 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.103 -0.998 . . . . 0.0 111.975 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.8 t -66.69 -42.82 85.88 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.512 0.725 . . . . 0.0 111.428 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.03 -42.78 99.12 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 120.903 -1.123 . . . . 0.0 111.681 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.72 97.11 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.733 0.813 . . . . 0.0 112.591 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -57.56 -45.64 84.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.001 1.321 . . . . 0.0 111.959 171.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.15 -34.64 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.765 0.826 . . . . 0.0 110.842 -177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.51 -49.75 74.13 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.904 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.9 mt -55.51 -47.73 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 118.8 0.727 . . . . 0.0 109.954 176.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -64.58 -53.69 43.8 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -63.44 -41.9 98.66 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.812 0.733 . . . . 0.0 112.337 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.4 -45.81 85.99 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.209 0.604 . . . . 0.0 111.469 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -57.15 -47.18 81.79 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.304 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.39 -43.01 99.84 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 120.563 1.528 . . . . 0.0 112.266 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -61.83 -48.91 78.44 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.135 -0.978 . . . . 0.0 111.494 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -64.01 -28.27 69.69 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.718 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -80.21 -32.75 38.49 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.691 1.996 . . . . 0.0 112.469 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -64.51 -35.84 82.25 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.993 0.917 . . . . 0.0 111.147 165.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t -73.6 -42.54 61.4 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 172.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -136.66 102.54 9.46 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.669 1.988 . . . . 0.0 110.685 -171.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.9 -10.48 28.56 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.208 2.605 . . . . 0.0 115.68 -163.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 p90 -84.12 -3.34 58.04 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.888 1.675 . . . . 0.0 115.076 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 124.96 22.01 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.9 0.88 . . . . 0.0 113.218 -167.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -85.44 142.34 29.32 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.084 1.354 . . . . 0.0 112.575 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -125.48 125.55 43.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.291 1.436 . . . . 0.0 110.943 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -140.57 133.8 29.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.558 1.543 . . . . 0.0 110.496 172.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -162.35 72.99 0.37 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.655 1.182 . . . . 0.0 112.13 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.4 p -73.87 170.48 15.27 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.357 0.663 . . . . 0.0 110.856 157.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -59.2 -38.16 79.21 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.867 -1.146 . . . . 0.0 111.561 169.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -62.28 -42.77 99.63 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.964 0.906 . . . . 0.0 111.569 174.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.53 90.69 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.487 0.585 . . . . 0.0 112.132 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.89 -45.68 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.173 0.897 . . . . 0.0 110.474 173.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.7 -30.95 70.59 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.694 1.134 . . . . 0.0 114.008 175.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -76.28 -38.0 56.76 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.0 -1.063 . . . . 0.0 113.083 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -79.8 -32.69 40.8 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.907 1.283 . . . . 0.0 112.487 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -135.85 95.66 13.72 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 126.338 1.855 . . . . 0.0 110.357 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.3 -14.43 25.49 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.601 2.201 . . . . 0.0 114.626 -173.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -76.94 -11.55 59.82 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.36 -25.83 61.68 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.459 1.027 . . . . 0.0 112.848 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.333 0 C-N-CA 124.558 1.143 . . . . 0.0 112.5 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 118.098 -0.953 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.71 172.55 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 126.276 1.83 . . . . 0.0 114.025 -168.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.64 158.5 22.99 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.818 1.199 . . . . 0.0 113.58 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 t -154.41 156.77 37.41 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.394 1.478 . . . . 0.0 111.676 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -122.01 -33.6 3.5 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.511 ' CG ' ' H ' ' A' ' 7' ' ' HIS . 17.9 t60 53.3 -165.74 0.08 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.011 1.725 . . . . 0.0 113.96 -175.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.511 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 78.3 t60 -139.54 147.16 40.82 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.748 1.619 . . . . 0.0 111.631 177.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -114.86 137.48 51.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.051 1.34 . . . . 0.0 113.951 -171.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -105.84 152.52 23.15 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.955 1.702 . . . . 0.0 111.502 170.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -141.92 168.5 19.6 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.84 1.256 . . . . 0.0 114.309 -164.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.59 135.37 3.13 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.463 1.506 . . . . 0.0 114.796 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -153.7 174.07 14.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.78 1.632 . . . . 0.0 111.082 168.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.87 41.58 0.16 Allowed Glycine 0 CA--C 1.535 1.318 0 N-CA-C 115.169 0.828 . . . . 0.0 115.169 -173.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.68 176.42 8.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.075 1.35 . . . . 0.0 112.513 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.19 153.59 18.0 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.051 1.34 . . . . 0.0 110.76 168.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.43 143.94 32.33 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.203 1.001 . . . . 0.0 112.525 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.39 143.62 26.24 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.83 1.252 . . . . 0.0 111.002 163.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mp -127.41 152.62 47.29 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.791 1.236 . . . . 0.0 111.07 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -71.52 133.26 45.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.917 0.487 . . . . 0.0 110.171 169.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.64 -20.67 19.37 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -150.37 168.17 24.91 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.791 1.236 . . . . 0.0 112.374 -168.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.53 -144.62 33.13 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 124.554 1.073 . . . . 0.0 114.062 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.88 -30.82 77.62 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.5 2.8 . . . . 0.0 114.059 -171.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -115.53 15.66 16.64 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.818 1.247 . . . . 0.0 113.879 -165.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.72 122.17 7.73 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.049 0.84 . . . . 0.0 112.195 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.82 2.52 84.19 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.929 1.252 . . . . 0.0 115.888 -176.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 mt -92.39 153.31 42.79 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 119.475 1.637 . . . . 0.0 112.004 172.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -60.66 150.82 80.26 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.181 2.587 . . . . 0.0 111.853 167.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.45 -48.92 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 118.628 0.649 . . . . 0.0 112.274 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -111.32 169.54 8.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.824 1.25 . . . . 0.0 113.779 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -55.0 -41.0 70.73 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.914 0.886 . . . . 0.0 111.612 169.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.1 m -66.23 -40.94 90.62 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.755 0.822 . . . . 0.0 111.99 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -61.08 -44.62 97.09 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.151 0.887 . . . . 0.0 111.46 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.79 98.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.653 0.781 . . . . 0.0 112.071 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.4 ttm-85 -61.94 -42.74 99.46 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.188 0.995 . . . . 0.0 112.056 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.3 t -66.28 -42.98 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.252 1.021 . . . . 0.0 110.41 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.78 -46.59 84.52 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 118.87 -0.586 . . . . 0.0 111.7 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.8 mt -56.69 -48.13 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 118.369 0.531 . . . . 0.0 110.153 173.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.59 -53.04 57.95 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.23 -42.34 98.45 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.519 -0.738 . . . . 0.0 112.617 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.57 -42.43 82.6 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.922 -0.486 . . . . 0.0 111.858 178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -58.71 -47.99 82.66 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.56 0.744 . . . . 0.0 112.016 170.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -39.76 92.51 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.7 1.2 . . . . 0.0 112.43 -178.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -71.25 -43.94 66.25 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.269 -0.895 . . . . 0.0 112.393 175.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -61.19 -31.16 70.92 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.796 171.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -71.63 -36.49 70.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.143 1.377 . . . . 0.0 112.369 175.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 45.0 mtm105 -62.33 -33.69 75.18 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.521 0.6 . . . . 0.0 111.899 168.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 m -76.91 -39.37 51.1 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -144.04 100.36 4.97 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 127.013 2.125 . . . . 0.0 110.386 -167.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.52 -10.61 27.09 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.385 2.723 . . . . 0.0 116.278 -159.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -82.88 -0.25 47.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.914 1.686 . . . . 0.0 115.194 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 126.24 26.75 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -165.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -87.05 143.03 27.5 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.329 1.451 . . . . 0.0 112.339 175.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -117.37 129.51 55.91 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.002 1.321 . . . . 0.0 111.395 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -136.92 104.48 5.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.403 1.481 . . . . 0.0 110.591 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -149.03 34.84 0.74 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.6 m -58.81 152.37 19.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.239 0.616 . . . . 0.0 109.674 157.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.35 -33.28 74.4 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.405 -1.435 . . . . 0.0 112.796 -173.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.18 -41.7 93.46 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.367 -0.833 . . . . 0.0 111.906 170.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.76 84.82 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.327 0.651 . . . . 0.0 111.915 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.62 -47.62 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.658 0.783 . . . . 0.0 110.271 172.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -67.04 -30.63 70.76 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -77.18 -37.62 53.28 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.125 -0.985 . . . . 0.0 113.345 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -77.44 -34.97 54.45 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.348 1.059 . . . . 0.0 112.517 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -135.9 89.0 21.72 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 126.462 1.905 . . . . 0.0 110.297 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.8 -17.33 37.43 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.457 2.105 . . . . 0.0 114.003 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -69.94 -11.28 60.75 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.52 -9.18 57.8 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.195 0.907 . . . . 0.0 112.86 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.605 1.562 . . . . 0.0 111.948 168.499 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.499 1.999 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -77.23 -43.34 33.9 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 119.397 0.999 . . . . 0.0 112.142 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.47 161.12 44.41 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.523 1.058 . . . . 0.0 112.604 166.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.2 p -151.43 -59.42 0.17 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.216 1.406 . . . . 0.0 110.802 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.8 m80 55.4 33.5 21.01 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.587 1.955 . . . . 0.0 114.686 167.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -73.68 144.94 45.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.424 1.089 . . . . 0.0 111.682 174.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -137.67 -70.85 0.44 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.279 1.032 . . . . 0.0 112.696 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.3 t60 57.47 151.86 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 128.81 2.844 . . . . 0.0 117.438 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -116.96 132.96 56.57 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.548 1.539 . . . . 0.0 112.274 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -147.51 171.28 15.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.936 2.095 . . . . 0.0 109.823 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.37 133.52 3.29 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.522 0.582 . . . . 0.0 112.569 168.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.2 p -151.79 95.97 2.17 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.279 1.032 . . . . 0.0 111.158 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.49 94.46 0.94 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.317 0.961 . . . . 0.0 111.453 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -147.05 179.2 7.78 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.354 1.462 . . . . 0.0 112.131 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.16 150.37 24.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.093 0.957 . . . . 0.0 110.958 166.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.1 133.81 55.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.51 1.124 . . . . 0.0 110.963 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.79 141.99 30.99 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.9 0.88 . . . . 0.0 111.03 172.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.7 mt -122.13 154.55 37.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.985 1.314 . . . . 0.0 111.023 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.69 135.27 48.19 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.948 -0.47 . . . . 0.0 109.865 164.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 -23.52 20.65 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.65 168.28 25.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.687 1.195 . . . . 0.0 112.445 -168.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.34 -142.21 29.98 Favored Glycine 0 CA--C 1.543 1.796 0 C-N-CA 124.639 1.114 . . . . 0.0 114.091 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.08 -31.9 83.54 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.515 2.81 . . . . 0.0 113.994 -171.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -115.73 16.22 16.38 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.717 1.207 . . . . 0.0 113.769 -166.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.77 121.97 7.45 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.202 0.91 . . . . 0.0 112.445 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.89 -5.41 83.98 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 125.313 1.435 . . . . 0.0 115.811 -176.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.1 mt -82.17 149.66 62.81 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 119.611 1.706 . . . . 0.0 111.7 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -63.93 147.22 92.05 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.477 2.785 . . . . 0.0 112.273 173.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.9 t -82.35 -48.75 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 112.476 0.546 . . . . 0.0 112.476 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -109.32 169.21 8.84 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.636 1.174 . . . . 0.0 113.677 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -55.21 -40.47 70.82 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.031 0.932 . . . . 0.0 111.822 169.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.2 m -67.16 -40.14 86.61 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 118.517 -0.754 . . . . 0.0 112.427 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -60.45 -43.19 97.11 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.108 1.322 . . . . 0.0 111.279 173.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.71 93.62 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.765 0.826 . . . . 0.0 112.566 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.8 ttp-105 -59.99 -43.57 95.07 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.992 0.917 . . . . 0.0 111.961 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.6 t -71.29 -35.04 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.11 0.964 . . . . 0.0 110.681 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.7 -51.91 66.48 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.757 0.708 . . . . 0.0 111.708 170.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.4 mt -55.61 -46.84 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.247 0.476 . . . . 0.0 109.966 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -64.98 -55.07 21.24 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -63.56 -41.64 98.4 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.151 0.887 . . . . 0.0 112.425 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -62.23 -49.12 77.0 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.817 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -55.04 -45.04 75.19 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 117.953 -1.022 . . . . 0.0 111.808 172.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.38 -44.05 97.82 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 120.486 1.494 . . . . 0.0 111.559 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.27 -47.99 80.07 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.468 -0.77 . . . . 0.0 112.175 172.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -63.58 -29.63 70.86 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.587 0.755 . . . . 0.0 111.948 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -76.86 -33.11 57.88 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.187 2.195 . . . . 0.0 111.441 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.1 ttt-85 -64.26 -39.94 94.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.438 1.095 . . . . 0.0 112.33 168.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.6 p -83.08 -33.14 26.46 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -134.45 100.77 12.39 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.569 1.948 . . . . 0.0 110.576 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.89 -10.27 27.32 Favored 'Trans proline' 0 CA--C 1.542 0.9 0 C-N-CA 123.322 2.681 . . . . 0.0 115.794 -161.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -82.77 -4.07 57.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.548 1.539 . . . . 0.0 114.862 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 119.38 8.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.004 0.82 . . . . 0.0 112.887 -167.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -86.59 138.8 31.4 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.127 0.971 . . . . 0.0 112.278 175.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -114.27 125.5 53.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.6 1.56 . . . . 0.0 110.613 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -140.44 124.39 17.39 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.247 1.419 . . . . 0.0 108.726 169.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -154.85 55.66 0.67 Allowed 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.4 p -59.27 164.5 3.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.455 0.702 . . . . 0.0 112.298 162.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.98 -36.3 70.18 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.109 -0.994 . . . . 0.0 111.779 168.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -61.45 -45.94 92.16 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.296 0.638 . . . . 0.0 110.919 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.83 95.58 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.811 0.732 . . . . 0.0 112.175 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.0 mt -62.15 -49.0 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.218 1.007 . . . . 0.0 110.576 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -66.68 -34.91 78.92 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.778 1.172 . . . . 0.0 113.581 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -72.21 -37.73 69.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.918 0.887 . . . . 0.0 112.732 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -79.24 -38.12 36.39 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.097 0.959 . . . . 0.0 112.462 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -128.84 91.66 42.35 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 126.281 1.832 . . . . 0.0 110.529 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -69.77 -18.55 36.88 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 122.537 2.158 . . . . 0.0 113.967 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -71.04 -10.82 60.41 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.91 -10.91 60.13 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.129 0.877 . . . . 0.0 112.708 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.343 1.457 . . . . 0.0 112.041 170.305 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttm . . . . . 0 N--CA 1.495 1.811 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.35 122.06 8.06 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.933 1.293 . . . . 0.0 110.53 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.85 167.88 34.86 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.46 1.029 . . . . 0.0 113.484 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.8 p -163.23 152.7 15.08 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.908 1.683 . . . . 0.0 111.179 174.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -156.3 162.78 40.08 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.29 1.036 . . . . 0.0 113.2 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -135.57 152.49 51.32 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.407 1.883 . . . . 0.0 109.652 167.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -138.36 37.12 2.28 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.145 0.978 . . . . 0.0 113.267 -171.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -130.2 113.08 14.01 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.87 1.268 . . . . 0.0 111.781 -169.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -155.81 153.2 29.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.257 1.423 . . . . 0.0 111.009 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -151.68 159.68 43.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.27 1.428 . . . . 0.0 112.18 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.62 -24.79 0.27 Allowed Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.84 1.21 . . . . 0.0 114.223 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.9 m -73.58 149.28 42.24 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.631 1.173 . . . . 0.0 113.756 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -171.95 38.2 0.16 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.539 1.066 . . . . 0.0 113.457 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -147.29 -177.28 5.6 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.785 1.634 . . . . 0.0 112.011 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -88.45 149.37 23.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.695 1.198 . . . . 0.0 110.836 170.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.9 134.63 36.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.752 0.821 . . . . 0.0 111.22 171.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.87 140.26 29.83 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.886 0.874 . . . . 0.0 110.872 168.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.9 mt -121.99 152.38 39.79 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.814 1.246 . . . . 0.0 110.924 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -68.58 138.35 55.02 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.853 -0.53 . . . . 0.0 110.307 168.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.54 -24.68 17.15 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -146.03 169.44 18.65 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.01 1.324 . . . . 0.0 112.845 -168.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.39 -144.09 33.85 Favored Glycine 0 CA--C 1.542 1.774 0 C-N-CA 124.178 0.894 . . . . 0.0 114.165 171.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.74 -30.1 77.87 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.515 2.81 . . . . 0.0 113.901 -172.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.46 14.62 16.7 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.655 1.182 . . . . 0.0 113.9 -164.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.56 122.69 8.43 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 119.518 1.053 . . . . 0.0 112.4 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.33 -6.71 81.24 Favored Glycine 0 CA--C 1.541 1.656 0 C-N-CA 125.405 1.478 . . . . 0.0 115.858 -175.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.4 mt -81.6 151.17 67.97 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 119.61 1.705 . . . . 0.0 111.566 173.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -62.92 145.97 94.69 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.269 2.646 . . . . 0.0 112.345 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.5 t -81.65 -52.37 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 119.175 -0.44 . . . . 0.0 112.131 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 p -104.13 169.73 8.32 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.474 1.109 . . . . 0.0 113.305 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.23 -35.63 80.98 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.1 -1.0 . . . . 0.0 111.436 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -66.45 -41.3 89.32 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.456 169.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -59.52 -40.95 88.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 120.17 1.35 . . . . 0.0 111.507 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.89 88.56 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.962 0.905 . . . . 0.0 112.579 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.0 ttp-105 -60.02 -41.29 91.84 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.986 0.914 . . . . 0.0 112.147 173.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.01 -37.31 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.446 1.098 . . . . 0.0 110.365 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.77 -50.3 74.36 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.605 0.639 . . . . 0.0 111.542 171.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.477 HG21 ' HB3' ' A' ' 101' ' ' MET . 65.2 mt -55.98 -49.28 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.131 0.572 . . . . 0.0 110.308 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -63.87 -51.66 63.6 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -60.82 -44.71 96.54 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.464 0.706 . . . . 0.0 112.516 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.82 -45.63 93.02 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.859 0.464 . . . . 0.0 111.899 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 48.9 t90 -58.96 -48.01 83.05 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.443 0.697 . . . . 0.0 111.823 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -70.34 -34.1 72.26 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.978 1.263 . . . . 0.0 112.859 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.42 -49.72 65.83 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.596 -1.315 . . . . 0.0 111.197 171.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -66.85 -23.25 66.0 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.909 -1.043 . . . . 0.0 112.347 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -70.76 -38.8 73.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.236 1.38 . . . . 0.0 112.011 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -60.08 -37.16 79.09 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 118.751 0.705 . . . . 0.0 111.771 167.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.4 m -71.51 -41.32 69.37 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -145.01 104.06 4.44 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 127.055 2.142 . . . . 0.0 110.36 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.78 -9.86 25.52 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 123.235 2.623 . . . . 0.0 116.109 -160.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.1 p90 -85.99 4.63 36.95 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.123 1.769 . . . . 0.0 115.193 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 126.13 26.31 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.069 0.948 . . . . 0.0 113.441 -165.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.71 147.8 31.79 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.793 1.637 . . . . 0.0 112.227 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -125.01 126.93 46.2 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.558 1.143 . . . . 0.0 111.814 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -137.23 109.83 7.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.454 1.502 . . . . 0.0 110.222 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.477 ' HB3' HG21 ' A' ' 83' ' ' ILE . 26.2 ptt? -148.16 29.55 0.88 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -177.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.8 m -66.09 160.48 23.82 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.605 -0.684 . . . . 0.0 110.5 166.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -53.17 -41.08 64.84 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.062 -1.024 . . . . 0.0 113.256 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -33.93 74.92 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.335 -0.853 . . . . 0.0 112.514 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.64 81.61 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.612 0.642 . . . . 0.0 111.6 172.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.22 -49.0 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.819 0.848 . . . . 0.0 110.145 173.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -66.62 -34.74 78.54 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -73.4 -36.48 66.02 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -44.13 31.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.187 0.995 . . . . 0.0 111.028 174.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -125.81 89.61 52.07 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 126.063 1.745 . . . . 0.0 110.841 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.77 -16.81 33.29 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.476 2.117 . . . . 0.0 113.904 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -68.92 -10.76 58.92 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.8 -3.47 28.83 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.123 0.969 . . . . 0.0 112.976 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.944 1.698 . . . . 0.0 111.741 167.488 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 110.926 -0.027 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -132.4 169.6 16.29 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.996 1.719 . . . . 0.0 112.116 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.77 -152.03 20.35 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 125.048 1.308 . . . . 0.0 114.019 177.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 m 59.16 30.32 20.07 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.881 1.673 . . . . 0.0 114.804 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -70.78 147.27 49.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.289 1.036 . . . . 0.0 112.577 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -151.06 154.57 37.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.105 1.362 . . . . 0.0 111.794 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -126.28 -49.78 1.55 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 59.16 145.99 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 127.262 2.225 . . . . 0.0 114.567 -161.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -154.5 159.56 41.05 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.452 1.101 . . . . 0.0 112.621 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 60.76 17.3 7.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.609 1.964 . . . . 0.0 116.041 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.12 161.51 54.14 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.109 -0.994 . . . . 0.0 112.507 165.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -148.03 142.2 26.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.066 0.947 . . . . 0.0 112.412 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.18 147.7 43.11 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.315 0.959 . . . . 0.0 113.666 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.41 172.08 17.05 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.299 1.44 . . . . 0.0 111.544 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -83.62 150.59 25.81 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.882 0.873 . . . . 0.0 111.317 170.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.34 133.87 47.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.94 1.296 . . . . 0.0 110.672 173.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.68 144.01 28.06 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.153 0.981 . . . . 0.0 111.659 175.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.2 mt -121.65 154.57 36.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.285 1.434 . . . . 0.0 110.632 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -69.92 135.62 49.69 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.804 -0.56 . . . . 0.0 109.796 164.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.7 -23.78 20.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -174.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.73 168.5 24.85 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.566 1.146 . . . . 0.0 112.53 -168.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.26 -141.72 29.36 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.372 0.986 . . . . 0.0 114.17 173.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -62.89 -31.9 77.28 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.366 2.71 . . . . 0.0 113.742 -171.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -115.59 16.37 16.52 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -166.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.36 121.68 6.67 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.102 0.865 . . . . 0.0 112.463 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.86 -4.07 86.33 Favored Glycine 0 CA--C 1.542 1.738 0 C-N-CA 125.121 1.343 . . . . 0.0 116.083 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.4 mt -84.59 150.04 55.75 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 119.541 1.671 . . . . 0.0 111.572 173.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -62.78 148.39 93.47 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.457 2.771 . . . . 0.0 112.552 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.1 t -84.75 -48.7 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.403 -177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -109.37 169.17 8.87 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.846 1.259 . . . . 0.0 112.847 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -61.83 -35.96 79.77 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.879 -1.138 . . . . 0.0 111.508 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -65.07 -39.3 93.04 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.508 0.723 . . . . 0.0 111.899 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.14 -48.08 83.24 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.532 1.06 . . . . 0.0 110.968 172.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.43 -43.29 93.13 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.442 0.697 . . . . 0.0 112.66 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -60.83 -44.11 97.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.843 1.257 . . . . 0.0 112.279 174.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.0 t -71.58 -35.51 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.734 0.814 . . . . 0.0 110.907 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.68 -48.49 81.54 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.679 0.672 . . . . 0.0 111.355 170.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' A' ' 101' ' ' MET . 67.5 mt -56.67 -48.9 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.438 0.563 . . . . 0.0 110.305 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -62.57 -51.56 66.87 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -62.37 -45.13 94.55 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.274 0.629 . . . . 0.0 111.976 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.76 -44.94 94.89 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.878 -0.514 . . . . 0.0 111.831 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -58.26 -46.81 85.3 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.059 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -64.37 -44.15 92.27 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.801 1.182 . . . . 0.0 111.946 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -64.15 -47.51 79.61 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.299 -0.876 . . . . 0.0 111.934 174.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -65.99 -26.11 67.39 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 117.535 -1.221 . . . . 0.0 112.227 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.41 -36.2 71.26 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.825 1.648 . . . . 0.0 111.886 172.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -62.34 -35.41 79.02 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.783 0.719 . . . . 0.0 111.712 168.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.0 m -73.88 -39.67 63.74 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -143.56 96.74 5.63 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 127.008 2.123 . . . . 0.0 110.114 -167.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.15 -10.07 27.42 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.444 2.762 . . . . 0.0 116.122 -160.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 8.5 p90 -81.8 -0.64 44.21 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.821 1.648 . . . . 0.0 115.017 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.07 123.99 18.45 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.058 0.943 . . . . 0.0 113.509 -167.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -87.01 144.23 26.99 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.567 1.547 . . . . 0.0 112.128 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -119.39 125.25 48.54 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.471 1.109 . . . . 0.0 111.824 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.86 120.87 15.59 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.635 1.574 . . . . 0.0 109.896 168.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.426 ' HB3' HG21 ' A' ' 83' ' ' ILE . 27.1 ptt? -149.17 40.53 0.87 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.5 t -66.51 158.21 30.2 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.413 0.685 . . . . 0.0 111.282 168.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -53.96 -38.83 65.41 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.69 1.196 . . . . 0.0 112.111 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.87 -41.61 91.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.721 0.808 . . . . 0.0 112.178 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.06 87.98 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.492 0.717 . . . . 0.0 111.777 175.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.2 -46.5 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.504 1.122 . . . . 0.0 110.284 173.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -64.43 -39.41 93.78 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.912 1.233 . . . . 0.0 113.836 174.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.42 -37.9 80.72 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.668 0.787 . . . . 0.0 112.805 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 -80.55 -39.04 28.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.757 0.823 . . . . 0.0 112.548 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -128.74 88.09 52.98 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.242 1.817 . . . . 0.0 110.727 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.72 -17.94 42.28 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 122.473 2.115 . . . . 0.0 113.61 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -68.62 -12.45 61.35 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.64 -10.32 59.06 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.088 0.858 . . . . 0.0 112.609 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.811 1.645 . . . . 0.0 112.252 171.164 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mpp? . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 119.753 -0.165 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -125.73 11.41 7.85 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.99 152.95 10.28 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.443 1.02 . . . . 0.0 113.621 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.2 p -152.78 -23.26 0.16 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -66.88 151.9 46.68 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.977 1.311 . . . . 0.0 113.275 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -149.57 119.01 6.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.913 1.285 . . . . 0.0 111.146 174.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -70.44 115.17 9.31 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.143 0.577 . . . . 0.0 110.865 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -146.42 110.36 4.96 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.993 1.317 . . . . 0.0 110.715 -174.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -137.24 163.2 31.5 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.604 1.162 . . . . 0.0 113.613 -167.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -157.32 -48.59 0.07 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.659 1.583 . . . . 0.0 111.043 174.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.46 154.64 30.89 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.002 1.763 . . . . 0.0 114.788 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -150.02 144.61 25.92 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.031 1.332 . . . . 0.0 112.446 -178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.82 0.41 84.47 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.934 1.254 . . . . 0.0 114.694 172.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.71 165.7 22.42 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 118.604 1.202 . . . . 0.0 113.783 -176.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -101.6 153.92 19.32 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.677 1.591 . . . . 0.0 110.639 170.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.71 136.79 40.96 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.132 0.973 . . . . 0.0 112.066 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.14 146.21 24.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.731 1.212 . . . . 0.0 111.42 169.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.0 mt -121.61 154.65 36.48 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.019 1.328 . . . . 0.0 111.447 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -71.02 136.35 48.31 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 122.702 0.401 . . . . 0.0 110.008 164.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.84 -25.4 18.12 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -176.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -145.9 170.06 17.35 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.192 1.397 . . . . 0.0 112.585 -169.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.36 -144.96 33.83 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 124.198 0.904 . . . . 0.0 114.14 171.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -62.46 -30.6 80.26 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.548 2.832 . . . . 0.0 113.944 -172.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -115.35 15.56 16.84 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.735 1.214 . . . . 0.0 113.882 -165.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.25 122.4 7.69 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 119.246 0.93 . . . . 0.0 112.325 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.17 -6.32 81.87 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.331 1.443 . . . . 0.0 115.895 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.8 mt -81.98 151.37 66.98 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 119.643 1.722 . . . . 0.0 111.559 172.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -62.16 147.73 94.51 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.276 2.651 . . . . 0.0 112.153 171.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.41 -49.12 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -111.34 167.58 10.19 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.415 1.086 . . . . 0.0 113.683 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -49.93 -43.12 49.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.659 1.183 . . . . 0.0 111.844 166.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.9 m -67.34 -40.65 85.87 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.674 0.79 . . . . 0.0 111.986 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.9 -45.1 95.94 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.997 0.817 . . . . 0.0 111.343 173.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.01 99.58 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.945 0.898 . . . . 0.0 112.292 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -61.64 -42.43 98.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.108 0.963 . . . . 0.0 112.306 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -72.39 -36.24 54.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.071 0.948 . . . . 0.0 111.097 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.91 -50.76 72.12 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.538 0.608 . . . . 0.0 111.252 170.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.407 HG21 ' HB3' ' A' ' 101' ' ' MET . 64.7 mt -55.27 -48.14 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 122.942 0.497 . . . . 0.0 110.207 176.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.32 -55.85 21.25 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -70.66 -33.36 70.86 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -175.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.64 -48.26 82.36 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.973 -0.455 . . . . 0.0 110.335 167.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -59.05 -39.11 81.04 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.943 -1.027 . . . . 0.0 113.256 173.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.76 -48.58 80.72 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.764 1.62 . . . . 0.0 111.531 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -64.62 -45.42 86.97 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.213 -0.929 . . . . 0.0 111.925 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -61.22 -37.5 83.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.084 0.954 . . . . 0.0 111.085 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.32 -39.92 85.9 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.593 1.557 . . . . 0.0 112.015 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.8 -33.38 74.01 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.582 0.628 . . . . 0.0 112.073 172.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.4 m -78.36 -37.39 44.41 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 170.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -142.58 94.83 6.6 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 127.0 2.12 . . . . 0.0 110.149 -167.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.05 -9.02 24.83 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.365 2.71 . . . . 0.0 116.175 -160.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -81.69 -2.48 50.62 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.731 1.612 . . . . 0.0 114.987 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 124.58 20.61 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.504 1.121 . . . . 0.0 113.73 -165.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -96.12 149.03 22.07 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.054 1.341 . . . . 0.0 112.556 173.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -122.55 120.86 35.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.073 1.349 . . . . 0.0 111.576 -165.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.3 99.38 6.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.453 1.501 . . . . 0.0 109.811 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.407 ' HB3' HG21 ' A' ' 83' ' ' ILE . 21.6 ptt? -139.37 33.03 2.08 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.8 t -63.23 159.82 16.96 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.92 -0.488 . . . . 0.0 111.014 163.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -53.74 -42.72 68.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.54 1.136 . . . . 0.0 112.411 -175.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -63.86 -38.46 91.17 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.629 0.772 . . . . 0.0 111.453 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.54 -38.55 84.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.362 0.983 . . . . 0.0 112.184 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 60.0 mt -59.76 -52.47 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.976 0.807 . . . . 0.0 109.971 172.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -70.7 -28.6 64.88 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -78.17 -37.9 44.78 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.18 0.992 . . . . 0.0 112.875 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -75.67 -37.1 59.85 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.876 0.87 . . . . 0.0 112.062 174.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -131.67 92.04 32.1 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.719 1.608 . . . . 0.0 110.911 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.45 -18.19 29.79 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.512 2.142 . . . . 0.0 113.725 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -69.81 -11.5 60.91 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.15 -11.45 60.74 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.023 0.829 . . . . 0.0 112.687 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.522 1.529 . . . . 0.0 111.943 171.841 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -128.12 163.56 24.36 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.565 1.546 . . . . 0.0 112.246 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.87 169.0 43.8 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.313 1.435 . . . . 0.0 114.573 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.2 m -139.08 155.13 48.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.745 1.618 . . . . 0.0 112.409 -174.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -81.25 149.89 28.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.436 1.094 . . . . 0.0 112.973 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -161.09 158.95 28.53 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.693 1.597 . . . . 0.0 112.476 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -129.01 -37.95 1.67 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.947 1.699 . . . . 0.0 112.698 167.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 44.99 72.37 0.21 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.967 2.107 . . . . 0.0 113.934 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CG ' ' H ' ' A' ' 10' ' ' HIS . 4.9 t60 -91.69 -163.5 1.05 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.521 1.128 . . . . 0.0 112.41 -177.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.499 ' H ' ' CG ' ' A' ' 9' ' ' HIS . 46.2 t-80 -140.04 162.04 36.18 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.148 1.779 . . . . 0.0 111.604 176.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.26 -173.55 33.96 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.337 0.97 . . . . 0.0 114.49 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.6 p -145.97 155.24 42.69 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.24 1.416 . . . . 0.0 112.846 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.22 126.78 10.41 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.063 0.84 . . . . 0.0 113.103 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.32 177.67 11.01 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.063 1.745 . . . . 0.0 111.033 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -89.32 142.01 28.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.112 0.965 . . . . 0.0 110.519 168.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.63 134.22 50.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.603 1.161 . . . . 0.0 110.797 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.83 137.61 35.24 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.373 0.669 . . . . 0.0 110.702 171.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 mt -120.07 152.84 36.96 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.953 1.301 . . . . 0.0 110.795 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -69.93 133.84 47.74 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.886 -0.509 . . . . 0.0 110.002 167.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.84 -24.08 21.51 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -151.99 169.24 22.83 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.618 1.167 . . . . 0.0 112.392 -168.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.0 -142.46 29.61 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.586 1.088 . . . . 0.0 114.165 172.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -62.53 -31.49 80.18 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.539 2.826 . . . . 0.0 114.019 -171.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.4 16.3 15.69 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.811 1.245 . . . . 0.0 113.784 -165.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.04 122.12 7.09 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.248 0.931 . . . . 0.0 112.492 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.01 -7.58 79.9 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.525 1.536 . . . . 0.0 115.808 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.1 mt -81.53 150.39 66.73 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.683 1.742 . . . . 0.0 111.688 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -62.33 147.61 94.66 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.306 2.67 . . . . 0.0 112.43 170.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.22 -51.66 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.3 p -107.61 168.49 9.21 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.601 1.161 . . . . 0.0 113.284 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -55.98 -37.75 69.5 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.043 -1.036 . . . . 0.0 111.744 169.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.0 m -67.41 -41.48 84.81 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.869 0.868 . . . . 0.0 111.805 175.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -60.79 -43.78 97.68 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.347 -0.846 . . . . 0.0 111.426 172.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.21 -45.87 91.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.116 0.966 . . . . 0.0 112.249 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -59.65 -42.48 92.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.053 0.941 . . . . 0.0 112.002 173.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.1 t -71.97 -38.6 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.201 -0.937 . . . . 0.0 110.711 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -51.2 70.95 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.541 0.736 . . . . 0.0 111.777 172.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.408 HG21 ' HB3' ' A' ' 101' ' ' MET . 59.6 mt -59.82 -43.45 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.168 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -62.35 -52.83 62.07 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -61.28 -43.02 99.57 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.917 0.781 . . . . 0.0 112.699 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.07 -43.36 99.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.691 0.797 . . . . 0.0 111.819 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -64.24 -41.6 96.91 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.546 172.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.43 -45.41 93.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 120.671 1.578 . . . . 0.0 111.7 176.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.05 -47.75 83.3 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.268 -0.895 . . . . 0.0 111.686 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -68.36 -25.22 64.97 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.37 -0.831 . . . . 0.0 112.704 177.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -72.13 -39.51 68.76 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.052 1.296 . . . . 0.0 111.185 171.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -63.46 -33.49 75.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.223 173.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.3 p -84.23 -35.33 23.52 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 170.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -139.9 99.7 7.45 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 126.814 2.046 . . . . 0.0 111.237 -174.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.39 -8.45 22.67 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 123.55 2.833 . . . . 0.0 116.434 -160.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -83.82 0.57 46.96 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.884 1.674 . . . . 0.0 115.139 -177.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 126.79 28.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.413 1.085 . . . . 0.0 113.848 -165.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.73 149.62 29.63 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.544 1.138 . . . . 0.0 112.843 171.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -119.14 100.02 7.08 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.203 1.001 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -116.52 76.33 1.02 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.862 1.265 . . . . 0.0 110.943 -172.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.408 ' HB3' HG21 ' A' ' 83' ' ' ILE . 23.8 ptt? -132.51 36.1 3.59 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -175.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.6 t -60.0 157.8 12.12 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.622 -0.674 . . . . 0.0 109.902 161.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -57.2 -35.43 69.61 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.46 -1.4 . . . . 0.0 113.009 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.35 -41.49 97.14 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.942 0.897 . . . . 0.0 112.189 172.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.75 75.42 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.788 0.835 . . . . 0.0 112.471 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.66 -48.11 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 118.871 0.759 . . . . 0.0 109.832 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -71.21 -32.71 69.14 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -72.48 -36.85 68.54 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.554 1.07 . . . . 0.0 112.819 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.9 ttm105 -78.43 -37.02 44.75 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.527 1.131 . . . . 0.0 112.393 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -134.91 86.76 31.77 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.778 2.031 . . . . 0.0 110.84 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -69.1 -17.76 40.43 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.507 2.138 . . . . 0.0 113.526 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -66.35 -13.67 60.94 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.52 -11.47 60.86 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.055 0.843 . . . . 0.0 113.028 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.117 1.767 . . . . 0.0 112.619 170.342 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.282 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.004 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -94.96 160.92 14.36 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.877 1.271 . . . . 0.0 111.667 173.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.67 178.43 48.43 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.191 0.901 . . . . 0.0 114.316 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.0 p -78.92 169.9 17.51 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.433 1.493 . . . . 0.0 113.018 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -82.27 -93.25 0.06 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.7 0.8 . . . . 0.0 112.6 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -146.52 -56.01 0.27 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.312 1.045 . . . . 0.0 113.328 -173.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 59.86 8.11 1.3 Allowed 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 116.863 2.171 . . . . 0.0 116.863 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -60.6 123.87 18.68 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.028 0.931 . . . . 0.0 110.161 168.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.61 126.78 6.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.414 1.086 . . . . 0.0 109.261 -173.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -83.42 155.36 23.5 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -164.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.32 -149.62 23.03 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.944 1.735 . . . . 0.0 114.195 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -154.79 -41.85 0.09 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.618 1.167 . . . . 0.0 112.991 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.21 100.13 2.33 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.92 1.247 . . . . 0.0 111.277 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.07 178.29 10.12 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.444 1.498 . . . . 0.0 111.952 -172.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.4 mt -83.57 152.61 24.77 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.2 1.0 . . . . 0.0 111.359 167.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.65 137.41 54.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.934 1.294 . . . . 0.0 111.133 174.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.44 138.34 32.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.92 0.888 . . . . 0.0 111.016 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.8 mt -119.64 151.8 38.12 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.99 1.316 . . . . 0.0 110.644 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -68.82 134.95 50.39 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.93 -0.481 . . . . 0.0 110.157 168.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.2 -23.43 20.22 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.92 168.82 23.95 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.553 1.141 . . . . 0.0 112.387 -168.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.61 -143.17 31.04 Favored Glycine 0 CA--C 1.543 1.785 0 C-N-CA 124.511 1.053 . . . . 0.0 114.165 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.75 -30.75 78.46 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.566 2.844 . . . . 0.0 114.111 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -116.05 15.33 16.13 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.748 1.219 . . . . 0.0 113.893 -165.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.04 122.31 7.37 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.338 0.972 . . . . 0.0 112.487 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.25 -7.95 78.7 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.502 1.525 . . . . 0.0 115.838 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.4 mt -80.68 150.96 70.73 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 119.71 1.755 . . . . 0.0 111.579 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -61.39 146.56 97.06 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.197 2.598 . . . . 0.0 112.167 170.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.3 t -80.28 -51.85 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 118.997 -0.525 . . . . 0.0 112.341 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.5 p -108.15 168.62 9.16 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.324 1.05 . . . . 0.0 113.486 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -55.11 -37.31 66.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.282 1.033 . . . . 0.0 112.11 168.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -67.28 -44.04 80.29 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.716 0.806 . . . . 0.0 111.621 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.68 -42.24 92.47 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.072 -1.017 . . . . 0.0 111.719 174.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.23 94.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.265 1.026 . . . . 0.0 112.351 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -58.35 -44.31 88.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.094 0.958 . . . . 0.0 111.888 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.3 t -72.9 -35.82 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.563 0.745 . . . . 0.0 110.701 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -51.47 69.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.798 0.726 . . . . 0.0 111.836 171.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.21 -47.57 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -62.26 -54.98 32.96 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -71.25 -33.71 70.06 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.464 1.029 . . . . 0.0 113.545 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.9 -49.9 75.89 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.498 166.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -56.54 -42.4 78.42 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.379 174.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -55.4 -47.79 75.35 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 121.088 1.767 . . . . 0.0 111.094 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.77 -50.43 66.83 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.58 -0.7 . . . . 0.0 112.501 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -62.66 -32.12 73.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.171 0.988 . . . . 0.0 111.542 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -73.67 -34.98 65.16 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.977 1.711 . . . . 0.0 111.664 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -62.82 -38.91 92.63 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.82 0.848 . . . . 0.0 112.359 170.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.6 p -82.97 -33.04 26.73 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -134.85 100.85 11.86 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.426 1.89 . . . . 0.0 110.852 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.3 -10.55 27.31 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.31 2.673 . . . . 0.0 115.939 -160.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -82.68 -1.98 52.8 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.874 1.67 . . . . 0.0 114.93 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 120.29 9.97 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -164.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -82.43 135.8 35.07 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.766 1.226 . . . . 0.0 112.661 173.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -112.56 122.79 48.7 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.043 1.337 . . . . 0.0 110.994 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.56 123.9 21.96 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.93 1.292 . . . . 0.0 109.878 167.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -155.83 36.01 0.35 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.596 1.158 . . . . 0.0 113.415 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 t -57.34 155.21 9.39 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.731 -0.606 . . . . 0.0 109.931 161.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -59.86 -30.29 68.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.028 -1.045 . . . . 0.0 112.704 -171.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -63.18 -43.93 96.87 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.03 0.932 . . . . 0.0 111.585 171.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.04 84.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.399 0.68 . . . . 0.0 112.142 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.06 -53.56 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.617 0.767 . . . . 0.0 110.56 171.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -66.79 -32.09 73.15 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -74.74 -34.76 62.59 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -84.59 -32.55 23.71 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.953 0.901 . . . . 0.0 112.991 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -131.16 90.63 38.19 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 126.032 1.733 . . . . 0.0 110.248 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.53 -15.23 30.79 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.517 2.145 . . . . 0.0 114.0 -175.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -72.85 -12.36 60.95 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.94 -20.88 61.69 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.209 0.913 . . . . 0.0 113.088 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 125.831 1.652 . . . . 0.0 111.401 176.502 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 ttp . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -100.66 142.05 32.68 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.879 1.272 . . . . 0.0 111.482 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.06 -166.71 28.09 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.514 1.054 . . . . 0.0 114.397 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.9 m -134.07 -67.76 0.58 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.601 1.161 . . . . 0.0 111.776 177.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -156.44 169.01 25.59 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.543 1.537 . . . . 0.0 110.885 173.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -90.57 141.05 29.17 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.847 1.259 . . . . 0.0 111.752 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -152.65 153.24 32.9 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.78 1.232 . . . . 0.0 112.411 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -157.42 -52.35 0.07 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 173.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -79.08 141.79 37.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.904 0.882 . . . . 0.0 112.9 -175.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -101.59 -20.44 15.05 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.33 178.31 51.78 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.45 1.024 . . . . 0.0 115.189 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.5 t -156.07 -49.69 0.08 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.628 1.171 . . . . 0.0 112.792 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.91 119.86 2.11 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.194 1.378 . . . . 0.0 112.554 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.59 177.6 11.03 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.503 1.521 . . . . 0.0 111.896 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.7 tp -92.04 132.62 36.42 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.948 1.299 . . . . 0.0 110.844 169.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.21 135.79 35.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.798 0.839 . . . . 0.0 111.292 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.29 140.41 29.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.988 0.915 . . . . 0.0 111.158 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.9 mt -121.45 152.61 38.9 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.983 1.313 . . . . 0.0 111.152 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -69.38 136.31 51.5 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.013 0.525 . . . . 0.0 110.303 168.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.63 -25.75 18.15 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -146.42 170.08 17.57 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.219 1.408 . . . . 0.0 112.771 -169.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.8 -145.47 33.94 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.119 0.866 . . . . 0.0 114.21 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.16 -30.46 82.09 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.647 2.898 . . . . 0.0 113.93 -172.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -115.44 15.64 16.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.816 1.246 . . . . 0.0 113.824 -165.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.11 123.11 8.71 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.504 1.047 . . . . 0.0 112.482 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.31 -7.51 78.26 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 125.364 1.459 . . . . 0.0 115.857 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.7 mt -81.64 151.6 68.46 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 119.631 1.715 . . . . 0.0 111.811 174.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -62.33 146.66 95.74 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.308 2.672 . . . . 0.0 112.389 170.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.13 -53.89 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 119.06 -0.495 . . . . 0.0 112.228 -177.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 p -103.1 169.88 8.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.4 1.08 . . . . 0.0 113.354 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -61.05 -37.35 82.32 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.091 -1.006 . . . . 0.0 111.402 173.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 m -69.37 -36.98 77.36 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.776 171.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.73 -43.15 98.26 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.273 1.397 . . . . 0.0 111.267 171.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.85 -44.57 95.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.894 0.878 . . . . 0.0 112.422 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -57.47 -44.64 85.01 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.772 1.229 . . . . 0.0 112.014 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.39 -35.08 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.963 0.905 . . . . 0.0 110.822 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -52.19 66.58 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.738 0.699 . . . . 0.0 111.737 171.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' A' ' 101' ' ' MET . 72.8 mt -56.63 -47.21 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -60.49 -56.77 17.36 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -70.96 -33.97 70.97 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.423 1.01 . . . . 0.0 113.562 -174.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.34 -49.42 77.27 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.023 -0.423 . . . . 0.0 110.447 168.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -59.85 -40.75 89.6 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 117.411 -1.28 . . . . 0.0 112.818 173.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.05 -47.36 78.04 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.307 1.867 . . . . 0.0 111.01 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.06 -48.36 80.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.641 -0.662 . . . . 0.0 111.884 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -65.07 -33.63 76.5 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.435 -0.791 . . . . 0.0 111.839 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -76.36 -33.07 58.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.996 2.118 . . . . 0.0 112.46 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -66.4 -34.83 78.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.472 0.709 . . . . 0.0 111.847 166.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 t -74.2 -42.44 59.81 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 173.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -138.12 104.84 7.98 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.765 2.026 . . . . 0.0 110.442 -171.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.32 -11.16 28.27 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.147 2.564 . . . . 0.0 115.859 -161.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -83.44 -3.52 57.65 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.647 1.579 . . . . 0.0 114.935 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.24 123.16 16.36 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.881 0.872 . . . . 0.0 113.112 -167.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -91.68 146.43 23.78 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.507 1.123 . . . . 0.0 112.718 175.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -118.85 126.46 51.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.438 1.495 . . . . 0.0 110.72 -169.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -136.85 101.8 4.69 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.162 1.385 . . . . 0.0 110.369 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.412 ' HB3' HG21 ' A' ' 83' ' ' ILE . 23.1 ptt? -149.14 41.64 0.91 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -174.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.8 p -63.2 169.4 3.54 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.582 -0.699 . . . . 0.0 111.176 160.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -56.3 -34.03 66.11 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.003 -1.06 . . . . 0.0 112.116 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.48 -48.51 72.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.001 0.92 . . . . 0.0 110.549 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.23 -37.97 89.32 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.11 -48.36 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.197 0.999 . . . . 0.0 110.604 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -65.14 -33.83 76.94 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 120.189 1.359 . . . . 0.0 113.252 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -72.42 -38.44 68.36 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 118.943 0.792 . . . . 0.0 113.042 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -76.95 -36.52 56.47 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.236 1.014 . . . . 0.0 112.774 175.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -136.69 92.79 14.52 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 126.36 1.864 . . . . 0.0 110.625 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.28 -15.22 28.44 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.488 2.125 . . . . 0.0 114.159 -175.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -71.38 -11.89 61.13 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.05 -15.64 59.53 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 124.722 1.209 . . . . 0.0 111.094 177.629 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.497 1.902 0 CA-C-O 118.824 -0.608 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -137.6 13.33 2.96 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -169.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.89 156.62 40.44 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.356 0.979 . . . . 0.0 113.641 177.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.7 m -141.45 153.06 44.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.723 1.609 . . . . 0.0 111.698 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -135.83 -85.3 0.37 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.223 1.009 . . . . 0.0 111.59 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.6 t60 45.43 76.55 0.09 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.657 1.983 . . . . 0.0 114.267 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -100.08 166.29 11.1 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.066 1.346 . . . . 0.0 111.135 169.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -145.71 153.32 40.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.557 1.143 . . . . 0.0 111.225 177.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.99 -53.12 0.12 Allowed 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -177.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.3 t60 40.98 72.57 0.15 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.495 2.318 . . . . 0.0 115.828 168.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.88 72.04 0.17 Allowed Glycine 0 N--CA 1.471 0.971 0 C-N-CA 123.379 0.514 . . . . 0.0 112.433 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -146.45 174.4 11.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.228 1.411 . . . . 0.0 112.268 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.95 52.24 0.03 OUTLIER Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.482 1.039 . . . . 0.0 113.46 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -140.93 -179.77 6.26 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.016 1.326 . . . . 0.0 112.384 -173.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.94 142.67 34.01 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.371 1.468 . . . . 0.0 110.509 169.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.47 141.77 28.38 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.931 0.892 . . . . 0.0 112.223 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.54 138.75 31.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.885 0.874 . . . . 0.0 110.651 167.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.3 mt -121.33 153.18 38.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.008 1.323 . . . . 0.0 110.991 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -68.47 135.41 51.62 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.876 -0.515 . . . . 0.0 110.0 168.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 -22.91 20.85 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -177.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -151.3 172.05 16.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.651 1.18 . . . . 0.0 113.149 -168.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.47 -144.25 34.0 Favored Glycine 0 CA--C 1.542 1.735 0 CA-C-O 119.212 -0.771 . . . . 0.0 114.111 172.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -63.11 -30.89 75.78 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.369 2.712 . . . . 0.0 113.875 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -116.16 16.74 15.91 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.775 1.23 . . . . 0.0 113.977 -165.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.71 122.64 7.57 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 119.187 0.903 . . . . 0.0 112.433 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.18 -6.85 80.5 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.435 1.493 . . . . 0.0 115.814 -176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.61 151.82 65.62 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 119.729 1.764 . . . . 0.0 111.696 174.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -63.01 146.57 94.79 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.22 2.614 . . . . 0.0 112.223 171.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.6 -49.74 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -176.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.7 p -110.38 170.03 8.35 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.579 1.152 . . . . 0.0 113.19 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -54.99 -39.79 69.39 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.182 -0.949 . . . . 0.0 111.527 168.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.5 m -65.48 -42.92 91.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.784 0.833 . . . . 0.0 111.58 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -61.04 -42.07 97.79 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.134 -0.979 . . . . 0.0 111.707 173.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.06 99.71 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.848 0.859 . . . . 0.0 112.468 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.8 ttt-85 -58.32 -44.54 88.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.6 1.16 . . . . 0.0 111.627 171.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.6 t -72.11 -35.48 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.884 0.874 . . . . 0.0 110.756 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.57 -50.24 72.07 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.782 0.833 . . . . 0.0 112.062 172.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.6 mt -55.52 -45.73 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 122.828 0.451 . . . . 0.0 109.842 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -61.75 -53.33 57.51 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -60.95 -44.54 97.12 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.938 0.79 . . . . 0.0 112.763 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.6 -46.02 87.7 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.527 0.731 . . . . 0.0 111.657 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.1 t90 -56.71 -51.07 70.22 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.921 -1.038 . . . . 0.0 111.301 170.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.44 -40.97 96.41 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.355 1.434 . . . . 0.0 112.01 -174.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.06 -50.7 70.93 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.238 -0.914 . . . . 0.0 111.816 172.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -66.66 -25.79 66.74 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.231 -0.918 . . . . 0.0 112.71 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -80.22 -34.16 37.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 127.084 2.154 . . . . 0.0 112.192 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -65.03 -34.39 78.33 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.836 0.854 . . . . 0.0 111.393 166.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.5 t -73.22 -50.82 20.34 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.16 110.15 21.55 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 127.096 2.159 . . . . 0.0 111.085 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -71.47 -9.44 25.17 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 123.353 2.702 . . . . 0.0 116.053 -162.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -89.05 0.41 56.71 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.89 1.676 . . . . 0.0 115.274 -174.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 124.94 24.46 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.976 0.91 . . . . 0.0 113.115 -169.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -79.17 157.22 27.93 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.223 1.009 . . . . 0.0 112.342 171.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -126.09 117.17 22.61 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.092 1.357 . . . . 0.0 110.617 -174.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.42 92.56 3.69 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.74 1.616 . . . . 0.0 110.558 -174.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -143.82 40.6 1.4 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.9 p -62.63 164.28 7.87 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.905 -0.497 . . . . 0.0 110.901 159.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -57.35 -37.24 72.28 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.76 -1.213 . . . . 0.0 111.793 171.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.69 -48.64 79.88 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.459 1.104 . . . . 0.0 111.662 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.03 -41.04 97.69 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.506 0.593 . . . . 0.0 111.998 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.76 -50.97 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.806 0.842 . . . . 0.0 110.496 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -68.43 -25.98 65.29 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.79 1.177 . . . . 0.0 113.734 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -77.62 -42.12 36.09 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.082 0.953 . . . . 0.0 113.355 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -89.12 -25.88 21.63 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.723 1.209 . . . . 0.0 113.188 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -129.62 85.7 57.75 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 126.877 2.071 . . . . 0.0 109.974 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.78 -17.32 42.17 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.512 2.141 . . . . 0.0 113.996 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -68.83 -12.4 61.49 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.64 -10.2 59.41 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.132 0.878 . . . . 0.0 112.875 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.571 1.548 . . . . 0.0 112.177 169.596 . . . . . . . . 0 0 . 1 stop_ save_